1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine

C19H30N2 — CID 173113720

IUPAC1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(CCC3CCCCC3)CC2)c1
InChIInChI=1S/C19H30N2/c1-17-6-5-9-19(16-17)21-14-12-20(13-15-21)11-10-18-7-3-2-4-8-18/h5-6,9,16,18H,2-4,7-8,10-15H2,1H3
InChIKeyZGGZQSGAWXDYME-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.09
Rot. Bonds4

About 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine

1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine (PubChem CID 173113720) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
PubChem CID173113720
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(CCC3CCCCC3)CC2)c1
InChIInChI=1S/C19H30N2/c1-17-6-5-9-19(16-17)21-14-12-20(13-15-21)11-10-18-7-3-2-4-8-18/h5-6,9,16,18H,2-4,7-8,10-15H2,1H3
InChIKeyZGGZQSGAWXDYME-UHFFFAOYSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 155035458
N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
CID 140543052
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine (CID 173113720) is 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(CCC3CCCCC3)CC2)c1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine?
The InChIKey is ZGGZQSGAWXDYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-17-6-5-9-19(16-17)21-14-12-20(13-15-21)11-10-18-7-3-2-4-8-18/h5-6,9,16,18H,2-4,7-8,10-15H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine?
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 173113720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).