1-(3-phenylsulfanylbutyl)piperidine

C15H23NS — CID 21391076

IUPAC1-(3-phenylsulfanylbutyl)piperidine
SMILESCC(CCN1CCCCC1)Sc1ccccc1
InChIInChI=1S/C15H23NS/c1-14(17-15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyFXYDXIUOKBYALZ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.04
Rot. Bonds5

About 1-(3-phenylsulfanylbutyl)piperidine

1-(3-phenylsulfanylbutyl)piperidine (PubChem CID 21391076) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(3-phenylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name1-(3-phenylsulfanylbutyl)piperidine
PubChem CID21391076
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(3-phenylsulfanylbutyl)piperidine
SMILESCC(CCN1CCCCC1)Sc1ccccc1
InChIInChI=1S/C15H23NS/c1-14(17-15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyFXYDXIUOKBYALZ-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
CID 71503885
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-(3-methylsulfanylbutyl)pyrrolidine
CID 67812295
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
1-(1-phenylsulfanylpentyl)piperidine
CID 21391029
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylsulfanylbutyl)piperidine?
The IUPAC name of 1-(3-phenylsulfanylbutyl)piperidine (CID 21391076) is 1-(3-phenylsulfanylbutyl)piperidine.
What is the SMILES notation for 1-(3-phenylsulfanylbutyl)piperidine?
The canonical SMILES for 1-(3-phenylsulfanylbutyl)piperidine is CC(CCN1CCCCC1)Sc1ccccc1.
What is the InChIKey of 1-(3-phenylsulfanylbutyl)piperidine?
The InChIKey is FXYDXIUOKBYALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-14(17-15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of 1-(3-phenylsulfanylbutyl)piperidine?
1-(3-phenylsulfanylbutyl)piperidine has a molecular weight of 249.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylsulfanylbutyl)piperidine is sourced from PubChem (CID 21391076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).