1-benzyl-2-pentylsulfanylpiperidine

C17H27NS — CID 69122946

IUPAC1-benzyl-2-pentylsulfanylpiperidine
SMILESCCCCCSC1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H27NS/c1-2-3-9-14-19-17-12-7-8-13-18(17)15-16-10-5-4-6-11-16/h4-6,10-11,17H,2-3,7-9,12-15H2,1H3
InChIKeyMIOYJTSHRMTEBD-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.92
Rot. Bonds7

About 1-benzyl-2-pentylsulfanylpiperidine

1-benzyl-2-pentylsulfanylpiperidine (PubChem CID 69122946) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-benzyl-2-pentylsulfanylpiperidine.

Molecular Properties

Compound Name1-benzyl-2-pentylsulfanylpiperidine
PubChem CID69122946
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-benzyl-2-pentylsulfanylpiperidine
SMILESCCCCCSC1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H27NS/c1-2-3-9-14-19-17-12-7-8-13-18(17)15-16-10-5-4-6-11-16/h4-6,10-11,17H,2-3,7-9,12-15H2,1H3
InChIKeyMIOYJTSHRMTEBD-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 71407726
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3-(1-benzylpiperidin-2-yl)propane-1-thiol
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3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
N-[3-(1-benzylpiperidin-2-yl)propyl]-N-decan-2-ylaniline
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CID 123575402
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
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CID 97167936
(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
CID 21024188
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-pentylsulfanylpiperidine?
The IUPAC name of 1-benzyl-2-pentylsulfanylpiperidine (CID 69122946) is 1-benzyl-2-pentylsulfanylpiperidine.
What is the SMILES notation for 1-benzyl-2-pentylsulfanylpiperidine?
The canonical SMILES for 1-benzyl-2-pentylsulfanylpiperidine is CCCCCSC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-pentylsulfanylpiperidine?
The InChIKey is MIOYJTSHRMTEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-3-9-14-19-17-12-7-8-13-18(17)15-16-10-5-4-6-11-16/h4-6,10-11,17H,2-3,7-9,12-15H2,1H3.
What are the key properties of 1-benzyl-2-pentylsulfanylpiperidine?
1-benzyl-2-pentylsulfanylpiperidine has a molecular weight of 277.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-pentylsulfanylpiperidine is sourced from PubChem (CID 69122946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).