2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine

C16H30FN — CID 113462329

IUPAC2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine
SMILESCC1CCC(C(C)(F)CC2CCCCN2)CC1C
InChIInChI=1S/C16H30FN/c1-12-7-8-14(10-13(12)2)16(3,17)11-15-6-4-5-9-18-15/h12-15,18H,4-11H2,1-3H3
InChIKeyKZIDENFKZBUZIF-UHFFFAOYSA-N
MW255.42 g/mol
LogP4.32
Rot. Bonds3

About 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine

2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine (PubChem CID 113462329) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine.

Molecular Properties

Compound Name2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine
PubChem CID113462329
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine
SMILESCC1CCC(C(C)(F)CC2CCCCN2)CC1C
InChIInChI=1S/C16H30FN/c1-12-7-8-14(10-13(12)2)16(3,17)11-15-6-4-5-9-18-15/h12-15,18H,4-11H2,1-3H3
InChIKeyKZIDENFKZBUZIF-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine?
The IUPAC name of 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine (CID 113462329) is 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine.
What is the SMILES notation for 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine?
The canonical SMILES for 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine is CC1CCC(C(C)(F)CC2CCCCN2)CC1C.
What is the InChIKey of 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine?
The InChIKey is KZIDENFKZBUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN/c1-12-7-8-14(10-13(12)2)16(3,17)11-15-6-4-5-9-18-15/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine?
2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine has a molecular weight of 255.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylcyclohexyl)-2-fluoropropyl]piperidine is sourced from PubChem (CID 113462329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).