1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile

C10H17FN2 — CID 130684609

IUPAC1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(CCCF)C1
InChIInChI=1S/C10H17FN2/c1-10(8-12)4-2-6-13(9-10)7-3-5-11/h2-7,9H2,1H3
InChIKeyHIPUJVIYOMJIQF-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile

1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile (PubChem CID 130684609) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile
PubChem CID130684609
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(CCCF)C1
InChIInChI=1S/C10H17FN2/c1-10(8-12)4-2-6-13(9-10)7-3-5-11/h2-7,9H2,1H3
InChIKeyHIPUJVIYOMJIQF-UHFFFAOYSA-N
XLogP1.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile?
The IUPAC name of 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile (CID 130684609) is 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile is CC1(C#N)CCCN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile?
The InChIKey is HIPUJVIYOMJIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-10(8-12)4-2-6-13(9-10)7-3-5-11/h2-7,9H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile?
1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile has a molecular weight of 184.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 130684609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).