1-butan-2-yl-4-fluoropiperidine-4-carbonitrile

C10H17FN2 — CID 130666869

IUPAC1-butan-2-yl-4-fluoropiperidine-4-carbonitrile
SMILESCCC(C)N1CCC(F)(C#N)CC1
InChIInChI=1S/C10H17FN2/c1-3-9(2)13-6-4-10(11,8-12)5-7-13/h9H,3-7H2,1-2H3
InChIKeyALXHBBBMMUYXPG-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.11
Rot. Bonds2

About 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile

1-butan-2-yl-4-fluoropiperidine-4-carbonitrile (PubChem CID 130666869) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-butan-2-yl-4-fluoropiperidine-4-carbonitrile
PubChem CID130666869
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-butan-2-yl-4-fluoropiperidine-4-carbonitrile
SMILESCCC(C)N1CCC(F)(C#N)CC1
InChIInChI=1S/C10H17FN2/c1-3-9(2)13-6-4-10(11,8-12)5-7-13/h9H,3-7H2,1-2H3
InChIKeyALXHBBBMMUYXPG-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Piperidin-1-yl)butanenitrile
CID 12040759
4-Ethyl-1-(1-fluoropropan-2-yl)piperidine
CID 68260643
4-Fluoro-4-methyl-1-propan-2-ylpiperidine
CID 68321637
1-(2-Fluoroethyl)piperidine-4-carbonitrile
CID 80602210
4-Ethyl-3-fluoro-1-propan-2-ylpiperidine
CID 89043570
1-Tert-butyl-4-fluoropiperidine-4-carbonitrile
CID 89408499
1-Ethyl-4-fluoropiperidine-4-carbonitrile
CID 89409612
4-(2-Fluoroethyl)-1-propan-2-ylpiperidine
CID 89416667
1-(1-Fluoropropan-2-yl)-4-methylpiperidine
CID 89616542
4-Fluoro-1-methylpiperidine-4-carbonitrile
CID 89742031
3-Fluoro-4-methyl-1-propan-2-ylpiperidine
CID 89750552
4-(1-Fluoroethyl)-1-propan-2-ylpiperidine
CID 117804160

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile?
The IUPAC name of 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile (CID 130666869) is 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile.
What is the SMILES notation for 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile?
The canonical SMILES for 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile is CCC(C)N1CCC(F)(C#N)CC1.
What is the InChIKey of 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile?
The InChIKey is ALXHBBBMMUYXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-3-9(2)13-6-4-10(11,8-12)5-7-13/h9H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile?
1-butan-2-yl-4-fluoropiperidine-4-carbonitrile has a molecular weight of 184.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-fluoropiperidine-4-carbonitrile is sourced from PubChem (CID 130666869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).