1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine

C14H20ClNS — CID 4194763

IUPAC1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine
SMILESClc1ccc(SCCCN2CCCCC2)cc1
InChIInChI=1S/C14H20ClNS/c15-13-5-7-14(8-6-13)17-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2
InChIKeyZODVBHYZSQAJIY-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.31
Rot. Bonds5

About 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine

1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine (PubChem CID 4194763) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine
PubChem CID4194763
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine
SMILESClc1ccc(SCCCN2CCCCC2)cc1
InChIInChI=1S/C14H20ClNS/c15-13-5-7-14(8-6-13)17-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2
InChIKeyZODVBHYZSQAJIY-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine (CID 4194763) is 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine is Clc1ccc(SCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine?
The InChIKey is ZODVBHYZSQAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c15-13-5-7-14(8-6-13)17-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine?
1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine has a molecular weight of 269.84 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine is sourced from PubChem (CID 4194763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).