4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile

C9H15FN2 — CID 131106731

IUPAC4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(F)(C#N)CC1
InChIInChI=1S/C9H15FN2/c1-8(2)12-5-3-9(10,7-11)4-6-12/h8H,3-6H2,1-2H3
InChIKeyWRZHEONHPBDBSQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.72
Rot. Bonds1

About 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile

4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile (PubChem CID 131106731) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile
PubChem CID131106731
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(F)(C#N)CC1
InChIInChI=1S/C9H15FN2/c1-8(2)12-5-3-9(10,7-11)4-6-12/h8H,3-6H2,1-2H3
InChIKeyWRZHEONHPBDBSQ-UHFFFAOYSA-N
XLogP1.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethyl)piperidine-4-carbonitrile
CID 62076657
1-(2-Fluoroethyl)piperidine-4-carbonitrile
CID 80602210
1-Tert-butyl-4-fluoropiperidine-4-carbonitrile
CID 89408499
1-Ethyl-4-fluoropiperidine-4-carbonitrile
CID 89409612
4-Fluoro-1-methylpiperidine-4-carbonitrile
CID 89742031
4-Methyl-1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
CID 103994063
2-(3-Fluoro-4-methylpiperidin-1-yl)acetonitrile
CID 117904745
2-(4-Ethyl-3-fluoropiperidin-1-yl)acetonitrile
CID 117904783
1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbonitrile
CID 117934854
3-(3-Fluoro-4-methylpiperidin-1-yl)propanenitrile
CID 130633404
2-[4-Methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
CID 132100549
2-[(3-Fluoro-3-methylpentyl)-methylamino]propanenitrile
CID 134315596

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile (CID 131106731) is 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile is CC(C)N1CCC(F)(C#N)CC1.
What is the InChIKey of 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile?
The InChIKey is WRZHEONHPBDBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-8(2)12-5-3-9(10,7-11)4-6-12/h8H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile?
4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile has a molecular weight of 170.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 131106731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).