1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine

C21H34N2 — CID 23143134

IUPAC1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2ccccc2C2CCCCCC2)CC1
InChIInChI=1S/C21H34N2/c1-18(2)17-22-13-15-23(16-14-22)21-12-8-7-11-20(21)19-9-5-3-4-6-10-19/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3
InChIKeyRECOHFXAEYCBBR-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.90
Rot. Bonds4

About 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine

1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine (PubChem CID 23143134) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
PubChem CID23143134
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2ccccc2C2CCCCCC2)CC1
InChIInChI=1S/C21H34N2/c1-18(2)17-22-13-15-23(16-14-22)21-12-8-7-11-20(21)19-9-5-3-4-6-10-19/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3
InChIKeyRECOHFXAEYCBBR-UHFFFAOYSA-N
XLogP4.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
CID 69218882
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
CID 23141796
4-[4-[4-(2-methylpropyl)piperazin-1-yl]-3-spiro[5.5]undecan-3-ylphenyl]morpholine
CID 23141975
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 23142749
2,6-dimethyl-4-[4-[4-(2-methylpropyl)piperazin-1-yl]-3-spiro[2.5]octan-6-ylphenyl]morpholine
CID 23142147
1-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 54504449
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine
CID 23142276

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine (CID 23143134) is 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(c2ccccc2C2CCCCCC2)CC1.
What is the InChIKey of 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine?
The InChIKey is RECOHFXAEYCBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-18(2)17-22-13-15-23(16-14-22)21-12-8-7-11-20(21)19-9-5-3-4-6-10-19/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3.
What are the key properties of 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine?
1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine has a molecular weight of 314.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 23143134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).