4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine

C23H44F2N2 — CID 142528823

IUPAC4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine
SMILESCCCCCCN1CCCC(CC(C)CCCNC2CCC(F)(F)CC2)C1
InChIInChI=1S/C23H44F2N2/c1-3-4-5-6-16-27-17-8-10-21(19-27)18-20(2)9-7-15-26-22-11-13-23(24,25)14-12-22/h20-22,26H,3-19H2,1-2H3
InChIKeyYYUNOXLCZHQDLG-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.25
Rot. Bonds12

About 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine

4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine (PubChem CID 142528823) has the molecular formula C23H44F2N2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine
PubChem CID142528823
Molecular FormulaC23H44F2N2
Molecular Weight386.62 g/mol
Exact Mass386.35
IUPAC Name4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine
SMILESCCCCCCN1CCCC(CC(C)CCCNC2CCC(F)(F)CC2)C1
InChIInChI=1S/C23H44F2N2/c1-3-4-5-6-16-27-17-8-10-21(19-27)18-20(2)9-7-15-26-22-11-13-23(24,25)14-12-22/h20-22,26H,3-19H2,1-2H3
InChIKeyYYUNOXLCZHQDLG-UHFFFAOYSA-N
XLogP6.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
2-[2-Cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine
CID 86280033
2-[2,2-Bis(4,4-difluorocyclohexyl)ethyl]piperidine
CID 86293528
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
2-[2-Cyclohexyl-2-(3,3-difluorocyclohexyl)ethyl]piperidine
CID 137634931
2-[2-Cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine
CID 117698250
2-[2,2-Bis(4-fluorocyclohexyl)ethyl]piperidine
CID 117711865
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
2-(4-Fluorocyclohexyl)-5-methylpiperazine
CID 20603163

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine (CID 142528823) is 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine is CCCCCCN1CCCC(CC(C)CCCNC2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine?
The InChIKey is YYUNOXLCZHQDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44F2N2/c1-3-4-5-6-16-27-17-8-10-21(19-27)18-20(2)9-7-15-26-22-11-13-23(24,25)14-12-22/h20-22,26H,3-19H2,1-2H3.
What are the key properties of 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine?
4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine has a molecular weight of 386.62 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine is sourced from PubChem (CID 142528823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).