1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine

C19H30N2 — CID 64947768

IUPAC1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
SMILESCCC1CCC(N2CC(c3ccccc3)NCC2C)CC1
InChIInChI=1S/C19H30N2/c1-3-16-9-11-18(12-10-16)21-14-19(20-13-15(21)2)17-7-5-4-6-8-17/h4-8,15-16,18-20H,3,9-14H2,1-2H3
InChIKeyBABKKAQRSRHCDK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine

1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine (PubChem CID 64947768) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
PubChem CID64947768
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
SMILESCCC1CCC(N2CC(c3ccccc3)NCC2C)CC1
InChIInChI=1S/C19H30N2/c1-3-16-9-11-18(12-10-16)21-14-19(20-13-15(21)2)17-7-5-4-6-8-17/h4-8,15-16,18-20H,3,9-14H2,1-2H3
InChIKeyBABKKAQRSRHCDK-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
5-ethyl-2-phenylpiperidine
CID 164753658
1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64942217
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
2-ethyl-1-(oxolan-3-yl)-5-phenylpiperazine
CID 64877457
1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 79870057
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
1-cyclopentyl-2-(2-methylpropyl)-5-phenylpiperazine
CID 82923611
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-(4-ethylphenyl)-2-methyl-5-phenylpiperazine
CID 64931217

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine (CID 64947768) is 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine is CCC1CCC(N2CC(c3ccccc3)NCC2C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The InChIKey is BABKKAQRSRHCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-16-9-11-18(12-10-16)21-14-19(20-13-15(21)2)17-7-5-4-6-8-17/h4-8,15-16,18-20H,3,9-14H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine?
1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64947768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).