1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine

C14H20ClNS — CID 15945581

IUPAC1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine
SMILESCC1CCCN(CCSc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyWLHGUGCERBIOMC-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine

1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine (PubChem CID 15945581) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine
PubChem CID15945581
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine
SMILESCC1CCCN(CCSc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyWLHGUGCERBIOMC-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine (CID 15945581) is 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine is CC1CCCN(CCSc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine?
The InChIKey is WLHGUGCERBIOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine?
1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine has a molecular weight of 269.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine is sourced from PubChem (CID 15945581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).