2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine

C24H46FN — CID 123195252

IUPAC2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine
SMILESCCC(C)C1CC(F)C(C)C(C(CC)C(C)C(C)CC2CCCCN2)C1
InChIInChI=1S/C24H46FN/c1-7-16(3)20-14-23(19(6)24(25)15-20)22(8-2)18(5)17(4)13-21-11-9-10-12-26-21/h16-24,26H,7-15H2,1-6H3
InChIKeyQIANQXCAHPRRDM-UHFFFAOYSA-N
MW367.64 g/mol
LogP6.86
Rot. Bonds8

About 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine

2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine (PubChem CID 123195252) has the molecular formula C24H46FN and a molecular weight of 367.64 g/mol. Its IUPAC name is 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine.

Molecular Properties

Compound Name2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine
PubChem CID123195252
Molecular FormulaC24H46FN
Molecular Weight367.64 g/mol
Exact Mass367.36
IUPAC Name2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine
SMILESCCC(C)C1CC(F)C(C)C(C(CC)C(C)C(C)CC2CCCCN2)C1
InChIInChI=1S/C24H46FN/c1-7-16(3)20-14-23(19(6)24(25)15-20)22(8-2)18(5)17(4)13-21-11-9-10-12-26-21/h16-24,26H,7-15H2,1-6H3
InChIKeyQIANQXCAHPRRDM-UHFFFAOYSA-N
XLogP6.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.64
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine?
The IUPAC name of 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine (CID 123195252) is 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine.
What is the SMILES notation for 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine?
The canonical SMILES for 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine is CCC(C)C1CC(F)C(C)C(C(CC)C(C)C(C)CC2CCCCN2)C1.
What is the InChIKey of 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine?
The InChIKey is QIANQXCAHPRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46FN/c1-7-16(3)20-14-23(19(6)24(25)15-20)22(8-2)18(5)17(4)13-21-11-9-10-12-26-21/h16-24,26H,7-15H2,1-6H3.
What are the key properties of 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine?
2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine has a molecular weight of 367.64 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine is sourced from PubChem (CID 123195252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).