4-fluoro-4-(4-methylpentyl)piperidine

C11H22FN — CID 112563310

IUPAC4-fluoro-4-(4-methylpentyl)piperidine
SMILESCC(C)CCCC1(F)CCNCC1
InChIInChI=1S/C11H22FN/c1-10(2)4-3-5-11(12)6-8-13-9-7-11/h10,13H,3-9H2,1-2H3
InChIKeyDUBMIUUREQDLPA-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.90
Rot. Bonds4

About 4-fluoro-4-(4-methylpentyl)piperidine

4-fluoro-4-(4-methylpentyl)piperidine (PubChem CID 112563310) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 4-fluoro-4-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(4-methylpentyl)piperidine
PubChem CID112563310
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name4-fluoro-4-(4-methylpentyl)piperidine
SMILESCC(C)CCCC1(F)CCNCC1
InChIInChI=1S/C11H22FN/c1-10(2)4-3-5-11(12)6-8-13-9-7-11/h10,13H,3-9H2,1-2H3
InChIKeyDUBMIUUREQDLPA-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-methylpentyl)piperidine?
The IUPAC name of 4-fluoro-4-(4-methylpentyl)piperidine (CID 112563310) is 4-fluoro-4-(4-methylpentyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(4-methylpentyl)piperidine?
The canonical SMILES for 4-fluoro-4-(4-methylpentyl)piperidine is CC(C)CCCC1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(4-methylpentyl)piperidine?
The InChIKey is DUBMIUUREQDLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)4-3-5-11(12)6-8-13-9-7-11/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-fluoro-4-(4-methylpentyl)piperidine?
4-fluoro-4-(4-methylpentyl)piperidine has a molecular weight of 187.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-methylpentyl)piperidine is sourced from PubChem (CID 112563310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).