1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

C25H42N2 — CID 23142693

IUPAC1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCCCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C25H42N2/c1-6-7-10-13-26-14-16-27(17-15-26)23-12-9-8-11-22(23)21-18-24(2,3)20-25(4,5)19-21/h8-9,11-12,21H,6-7,10,13-20H2,1-5H3
InChIKeyIZWNRHIXFSMAJP-UHFFFAOYSA-N
MW370.63 g/mol
LogP6.32
Rot. Bonds6

About 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (PubChem CID 23142693) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.

Molecular Properties

Compound Name1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
PubChem CID23142693
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCCCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C25H42N2/c1-6-7-10-13-26-14-16-27(17-15-26)23-12-9-8-11-22(23)21-18-24(2,3)20-25(4,5)19-21/h8-9,11-12,21H,6-7,10,13-20H2,1-5H3
InChIKeyIZWNRHIXFSMAJP-UHFFFAOYSA-N
XLogP6.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
CID 11198672
1-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-pentylpiperazine;hydrochloride
CID 23141674
1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine
CID 23142276
1-butyl-4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23141599
1-[4,5-dimethoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-pentylpiperazine;hydrochloride
CID 23141939
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]butanenitrile
CID 23142337
1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 23142557
1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 11245244
1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23141814
4-[4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine;hydrochloride
CID 23142311
1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine
CID 11988824

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The IUPAC name of 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (CID 23142693) is 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.
What is the SMILES notation for 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The canonical SMILES for 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is CCCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The InChIKey is IZWNRHIXFSMAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-6-7-10-13-26-14-16-27(17-15-26)23-12-9-8-11-22(23)21-18-24(2,3)20-25(4,5)19-21/h8-9,11-12,21H,6-7,10,13-20H2,1-5H3.
What are the key properties of 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine has a molecular weight of 370.63 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is sourced from PubChem (CID 23142693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).