4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile

C10H17FN2 — CID 167159668

IUPAC4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile
SMILESCCCN1CCC(C)(F)C(C#N)C1
InChIInChI=1S/C10H17FN2/c1-3-5-13-6-4-10(2,11)9(7-12)8-13/h9H,3-6,8H2,1-2H3
InChIKeyMBZCLURAXJWLMA-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.97
Rot. Bonds2

About 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile

4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile (PubChem CID 167159668) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile
PubChem CID167159668
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile
SMILESCCCN1CCC(C)(F)C(C#N)C1
InChIInChI=1S/C10H17FN2/c1-3-5-13-6-4-10(2,11)9(7-12)8-13/h9H,3-6,8H2,1-2H3
InChIKeyMBZCLURAXJWLMA-UHFFFAOYSA-N
XLogP1.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

1-Methylpiperidine-3-carbonitrile
CID 18941139
2-(3,5-Dimethylpiperidin-1-yl)acetonitrile
CID 22688895
1-Methylpiperidine-4-carbonitrile
CID 11789206
2-(1-Methylpiperidin-4-yl)propanedinitrile
CID 58855
1-(2-Fluoroethyl)-4-propan-2-ylpiperidine
CID 58286852
1-(2-Fluoropropyl)-4-propan-2-ylpiperidine
CID 58394698
(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
CID 58394777
(3R,4S)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
CID 58394799
1-Ethyl-3-fluoro-4-propan-2-ylpiperidine
CID 58395353
1-(2,2,2-Trifluoroethyl)piperidine-4-carbonitrile
CID 62076657
1-(2-Fluoroethyl)piperidine-4-carbonitrile
CID 80602210
(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 89199179

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile?
The IUPAC name of 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile (CID 167159668) is 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile.
What is the SMILES notation for 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile?
The canonical SMILES for 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile is CCCN1CCC(C)(F)C(C#N)C1.
What is the InChIKey of 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile?
The InChIKey is MBZCLURAXJWLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-3-5-13-6-4-10(2,11)9(7-12)8-13/h9H,3-6,8H2,1-2H3.
What are the key properties of 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile?
4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile has a molecular weight of 184.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-propylpiperidine-3-carbonitrile is sourced from PubChem (CID 167159668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).