[1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine

C10H21FN2S — CID 81105376

IUPAC[1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCCF)CC1
InChIInChI=1S/C10H21FN2S/c1-14-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-9,12H2,1H3
InChIKeyJUSADFCDLDICGU-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.50
Rot. Bonds5

About [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 81105376) has the molecular formula C10H21FN2S and a molecular weight of 220.36 g/mol. Its IUPAC name is [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID81105376
Molecular FormulaC10H21FN2S
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name[1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCCF)CC1
InChIInChI=1S/C10H21FN2S/c1-14-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-9,12H2,1H3
InChIKeyJUSADFCDLDICGU-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-3,3-difluoro-1-methyl-4-methylsulfanylpiperidine
CID 169625564
4-Fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine
CID 170022595
[1-(2,2-Difluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 65988942
[4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
CID 65988955
[4-Methylsulfanyl-1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine
CID 65989765
1-(2,2-Difluoroethyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 65991063
4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine-4-carbothioamide
CID 65992800
4-Methylsulfanyl-1-(3,3,3-trifluoropropyl)piperidine-4-carbothioamide
CID 65993240
1-(2-Fluoroethyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 80696001
[1-(2-Fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 80698978
1-(3-Fluoropropyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 81105920
1-(3-Fluoropropyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 81105926

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 81105376) is [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine is CSC1(CN)CCN(CCCF)CC1.
What is the InChIKey of [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is JUSADFCDLDICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2S/c1-14-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-9,12H2,1H3.
What are the key properties of [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 220.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 81105376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).