4-benzyl-1-(2-methylsulfanylethyl)piperidine

C15H23NS — CID 112796308

IUPAC4-benzyl-1-(2-methylsulfanylethyl)piperidine
SMILESCSCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H23NS/c1-17-12-11-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyCNSPIMPLSAGROS-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.30
Rot. Bonds5

About 4-benzyl-1-(2-methylsulfanylethyl)piperidine

4-benzyl-1-(2-methylsulfanylethyl)piperidine (PubChem CID 112796308) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-benzyl-1-(2-methylsulfanylethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2-methylsulfanylethyl)piperidine
PubChem CID112796308
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-benzyl-1-(2-methylsulfanylethyl)piperidine
SMILESCSCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H23NS/c1-17-12-11-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyCNSPIMPLSAGROS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-benzyl-1-(3-methylbutyl)piperidine
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4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570
4-benzyl-1-methylazepane
CID 123177845
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
4-benzyl-1-methoxypiperidine
CID 146666995
4-benzyl-1-propan-2-ylpiperidine
CID 22959492

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-methylsulfanylethyl)piperidine?
The IUPAC name of 4-benzyl-1-(2-methylsulfanylethyl)piperidine (CID 112796308) is 4-benzyl-1-(2-methylsulfanylethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2-methylsulfanylethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(2-methylsulfanylethyl)piperidine is CSCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-methylsulfanylethyl)piperidine?
The InChIKey is CNSPIMPLSAGROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-17-12-11-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 4-benzyl-1-(2-methylsulfanylethyl)piperidine?
4-benzyl-1-(2-methylsulfanylethyl)piperidine has a molecular weight of 249.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-methylsulfanylethyl)piperidine is sourced from PubChem (CID 112796308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).