3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine

C19H30N2 — CID 64952857

IUPAC3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
SMILESCC1CCC(N2CCNC(Cc3ccccc3)C2)CC1C
InChIInChI=1S/C19H30N2/c1-15-8-9-19(12-16(15)2)21-11-10-20-18(14-21)13-17-6-4-3-5-7-17/h3-7,15-16,18-20H,8-14H2,1-2H3
InChIKeySOQKUMSNKVZKLD-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.33
Rot. Bonds3

About 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine

3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine (PubChem CID 64952857) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
PubChem CID64952857
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
SMILESCC1CCC(N2CCNC(Cc3ccccc3)C2)CC1C
InChIInChI=1S/C19H30N2/c1-15-8-9-19(12-16(15)2)21-11-10-20-18(14-21)13-17-6-4-3-5-7-17/h3-7,15-16,18-20H,8-14H2,1-2H3
InChIKeySOQKUMSNKVZKLD-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-cyclopropylpiperazine
CID 52992061
3-benzyl-1-(2-methylcyclopropyl)piperazine
CID 64952571
3-benzyl-1-cyclooctylpiperazine
CID 64924383
3-benzyl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943337
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane
CID 64949769
(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104975923
(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104977366
1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952254
5,12-dibenzyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 57147750
3-(3-benzyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944072
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane
CID 82936014

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine?
The IUPAC name of 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine (CID 64952857) is 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine?
The canonical SMILES for 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine is CC1CCC(N2CCNC(Cc3ccccc3)C2)CC1C.
What is the InChIKey of 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine?
The InChIKey is SOQKUMSNKVZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-8-9-19(12-16(15)2)21-11-10-20-18(14-21)13-17-6-4-3-5-7-17/h3-7,15-16,18-20H,8-14H2,1-2H3.
What are the key properties of 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine?
3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine is sourced from PubChem (CID 64952857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).