Home > Compound List > Compound details
162104869 molecular structure
click picture or here to close

3,3-dimethyl-1-[(3R)-piperidin-3-yl]urea hydrochloride

ChemBase ID: 90829
Molecular Formular: C8H18ClN3O
Molecular Mass: 207.70102
Monoisotopic Mass: 207.11383989
SMILES and InChIs

SMILES:
N([C@H]1CNCCC1)C(=O)N(C)C.Cl
Canonical SMILES:
O=C(N(C)C)N[C@@H]1CCCNC1.Cl
InChI:
InChI=1S/C8H17N3O.ClH/c1-11(2)8(12)10-7-4-3-5-9-6-7;/h7,9H,3-6H2,1-2H3,(H,10,12);1H/t7-;/m1./s1
InChIKey:
FOHHWQWGPZHBNS-OGFXRTJISA-N

Cite this record

CBID:90829 http://www.chembase.cn/molecule-90829.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-dimethyl-1-[(3R)-piperidin-3-yl]urea hydrochloride
IUPAC Traditional name
3,3-dimethyl-1-[(3R)-piperidin-3-yl]urea hydrochloride
Synonyms
(3S)-3-[(Dimethylcarbamoyl)amino]piperidine hydrochloride
1,1-Dimethyl-3-[(3S)-piperidin-3-yl]urea hydrochloride
PubChem SID
162104869
PubChem CID
53256829

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR62022 external link Add to cart Please log in.
Data Source Data ID
PubChem 53256829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  Acid pKa 15.620816 
H Acceptors H Donor
LogD (pH = 5.5) -3.7671077  LogD (pH = 7.4) -2.68572 
Log P -0.5916445  Molar Refractivity 47.7683 cm3
Polarizability 18.61435 Å3 Polar Surface Area 44.37 Å2
Rotatable Bonds

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle