3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile

C9H15FN2 — CID 130633404

IUPAC3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile
SMILESCC1CCN(CCC#N)CC1F
InChIInChI=1S/C9H15FN2/c1-8-3-6-12(5-2-4-11)7-9(8)10/h8-9H,2-3,5-7H2,1H3
InChIKeyCHZNKLPDROUEGC-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.58
Rot. Bonds2

About 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile

3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile (PubChem CID 130633404) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile
PubChem CID130633404
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile
SMILESCC1CCN(CCC#N)CC1F
InChIInChI=1S/C9H15FN2/c1-8-3-6-12(5-2-4-11)7-9(8)10/h8-9H,2-3,5-7H2,1H3
InChIKeyCHZNKLPDROUEGC-UHFFFAOYSA-N
XLogP1.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Methylpiperidino)acetonitrile
CID 22688888
1-Methylpiperidine-4-carbonitrile
CID 11789206
2-Methyl-3-piperidin-1-ylpropanenitrile
CID 13401685
2-(1-Methylpiperidin-4-yl)propanedinitrile
CID 58855
4-(Fluoromethyl)-1-methylpiperidine
CID 19832073
3-Fluoro-1,4-dimethylpiperidine
CID 21050544
1-(Fluoromethyl)-4-methylpiperidine
CID 57542049
(3S,4S)-3-fluoro-1,4-dimethylpiperidine
CID 58073283
(3R,4S)-3-fluoro-1,4-dimethylpiperidine
CID 58073396
(3R,4R)-3-fluoro-1,4-dimethylpiperidine
CID 58073464
(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine
CID 58394807
(3R,4R)-1-ethyl-3-fluoro-4-methylpiperidine
CID 58395405

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile?
The IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile (CID 130633404) is 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile is CC1CCN(CCC#N)CC1F.
What is the InChIKey of 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile?
The InChIKey is CHZNKLPDROUEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-8-3-6-12(5-2-4-11)7-9(8)10/h8-9H,2-3,5-7H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile?
3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile has a molecular weight of 170.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 130633404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).