1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride

C20H25Cl2NS — CID 3062940

IUPAC1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(C(CCN2CCCCC2)Sc2ccccc2)cc1
InChIInChI=1S/C20H24ClNS.ClH/c21-18-11-9-17(10-12-18)20(23-19-7-3-1-4-8-19)13-16-22-14-5-2-6-15-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H
InChIKeyMMIPHZYORKUDDP-UHFFFAOYSA-N
MW382.40 g/mol
LogP6.47
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride

1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride (PubChem CID 3062940) has the molecular formula C20H25Cl2NS and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride
PubChem CID3062940
Molecular FormulaC20H25Cl2NS
Molecular Weight382.40 g/mol
Exact Mass381.11
IUPAC Name1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(C(CCN2CCCCC2)Sc2ccccc2)cc1
InChIInChI=1S/C20H24ClNS.ClH/c21-18-11-9-17(10-12-18)20(23-19-7-3-1-4-8-19)13-16-22-14-5-2-6-15-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H
InChIKeyMMIPHZYORKUDDP-UHFFFAOYSA-N
XLogP6.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride (CID 3062940) is 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride is Cl.Clc1ccc(C(CCN2CCCCC2)Sc2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride?
The InChIKey is MMIPHZYORKUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNS.ClH/c21-18-11-9-17(10-12-18)20(23-19-7-3-1-4-8-19)13-16-22-14-5-2-6-15-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H.
What are the key properties of 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride?
1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride has a molecular weight of 382.40 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine;hydrochloride is sourced from PubChem (CID 3062940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).