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324748-62-1 molecular structure
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(3R)-1-benzyl-3-(propan-2-yl)piperazine

ChemBase ID: 804707
Molecular Formular: C14H22N2
Molecular Mass: 218.33788
Monoisotopic Mass: 218.17829871
SMILES and InChIs

SMILES:
C1[C@H](NCCN1Cc1ccccc1)C(C)C
Canonical SMILES:
CC([C@H]1NCCN(C1)Cc1ccccc1)C
InChI:
InChI=1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m0/s1
InChIKey:
HPOGZEGDXGTDSX-AWEZNQCLSA-N

Cite this record

CBID:804707 http://www.chembase.cn/molecule-804707.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-1-benzyl-3-(propan-2-yl)piperazine
IUPAC Traditional name
(3R)-1-benzyl-3-isopropylpiperazine
Synonyms
1-BENZYL-3(R)ISOPROPYL-PIPERAZINE
CAS Number
324748-62-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21856 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21856 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) -0.87017816  LogD (pH = 7.4) 0.3526023 
Log P 2.6827846  Molar Refractivity 68.7705 cm3
Polarizability 27.44732 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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