Home > Compound List > Compound details
1033693-17-2 molecular structure
click picture or here to close

4-(1H-imidazol-1-ylmethyl)piperidin-4-ol

ChemBase ID: 308532
Molecular Formular: C9H15N3O
Molecular Mass: 181.2349
Monoisotopic Mass: 181.12151212
SMILES and InChIs

SMILES:
n1cn(cc1)CC1(CCNCC1)O
Canonical SMILES:
OC1(CCNCC1)Cn1cncc1
InChI:
InChI=1S/C9H15N3O/c13-9(1-3-10-4-2-9)7-12-6-5-11-8-12/h5-6,8,10,13H,1-4,7H2
InChIKey:
LUDVFFBKGBACJW-UHFFFAOYSA-N

Cite this record

CBID:308532 http://www.chembase.cn/molecule-308532.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-imidazol-1-ylmethyl)piperidin-4-ol
IUPAC Traditional name
4-(imidazol-1-ylmethyl)piperidin-4-ol
Synonyms
4-(1H-imidazol-1-ylmethyl)-4-piperidinol
CAS Number
1033693-17-2
MDL Number
MFCD10686633

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4031456 external link Add to cart
Data Source Data ID Price
ChemBridge
4031456 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.7717047  LogD (pH = 7.4) -3.3709598 
Log P -1.0441233  Molar Refractivity 50.2478 cm3
Polarizability 19.532349 Å3 Polar Surface Area 50.08 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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