1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile

C10H17FN2S — CID 81105920

IUPAC1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(CCCF)CC1
InChIInChI=1S/C10H17FN2S/c1-14-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-8H2,1H3
InChIKeyQKGICTUXQSOUKS-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile

1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile (PubChem CID 81105920) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile
PubChem CID81105920
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC Name1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(CCCF)CC1
InChIInChI=1S/C10H17FN2S/c1-14-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-8H2,1H3
InChIKeyQKGICTUXQSOUKS-UHFFFAOYSA-N
XLogP2.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile (CID 81105920) is 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile is CSC1(C#N)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The InChIKey is QKGICTUXQSOUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c1-14-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile?
1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile has a molecular weight of 216.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile is sourced from PubChem (CID 81105920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).