1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine

C19H30N2 — CID 117462174

IUPAC1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
SMILESCC1CCC(c2cccc(CCN3CCNCC3)c2)CC1
InChIInChI=1S/C19H30N2/c1-16-5-7-18(8-6-16)19-4-2-3-17(15-19)9-12-21-13-10-20-11-14-21/h2-4,15-16,18,20H,5-14H2,1H3
InChIKeyDLFCVHBLKKOSBJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.43
Rot. Bonds4

About 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine

1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine (PubChem CID 117462174) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
PubChem CID117462174
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
SMILESCC1CCC(c2cccc(CCN3CCNCC3)c2)CC1
InChIInChI=1S/C19H30N2/c1-16-5-7-18(8-6-16)19-4-2-3-17(15-19)9-12-21-13-10-20-11-14-21/h2-4,15-16,18,20H,5-14H2,1H3
InChIKeyDLFCVHBLKKOSBJ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
CID 117434167
1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
CID 117469431
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
CID 79970782
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine (CID 117462174) is 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine is CC1CCC(c2cccc(CCN3CCNCC3)c2)CC1.
What is the InChIKey of 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine?
The InChIKey is DLFCVHBLKKOSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-5-7-18(8-6-16)19-4-2-3-17(15-19)9-12-21-13-10-20-11-14-21/h2-4,15-16,18,20H,5-14H2,1H3.
What are the key properties of 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine?
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117462174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).