3,3-difluoro-1-(4-methylpentyl)piperidine

C11H21F2N — CID 58664922

IUPAC3,3-difluoro-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-10(2)5-3-7-14-8-4-6-11(12,13)9-14/h10H,3-9H2,1-2H3
InChIKeyKMXGZWSDLXBAIR-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds4

About 3,3-difluoro-1-(4-methylpentyl)piperidine

3,3-difluoro-1-(4-methylpentyl)piperidine (PubChem CID 58664922) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 3,3-difluoro-1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(4-methylpentyl)piperidine
PubChem CID58664922
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name3,3-difluoro-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-10(2)5-3-7-14-8-4-6-11(12,13)9-14/h10H,3-9H2,1-2H3
InChIKeyKMXGZWSDLXBAIR-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(4-methylpentyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(4-methylpentyl)piperidine (CID 58664922) is 3,3-difluoro-1-(4-methylpentyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(4-methylpentyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(4-methylpentyl)piperidine is CC(C)CCCN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(4-methylpentyl)piperidine?
The InChIKey is KMXGZWSDLXBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2)5-3-7-14-8-4-6-11(12,13)9-14/h10H,3-9H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(4-methylpentyl)piperidine?
3,3-difluoro-1-(4-methylpentyl)piperidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(4-methylpentyl)piperidine is sourced from PubChem (CID 58664922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).