1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride

C18H22ClNOS — CID 14400559

IUPAC1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
SMILESCN1CCC(Oc2ccc(Sc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C18H21NOS.ClH/c1-19-13-11-16(12-14-19)20-15-7-9-18(10-8-15)21-17-5-3-2-4-6-17;/h2-10,16H,11-14H2,1H3;1H
InChIKeyQNZIMKPCYNNTOR-UHFFFAOYSA-N
MW335.90 g/mol
LogP4.73
Rot. Bonds4

About 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride

1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride (PubChem CID 14400559) has the molecular formula C18H22ClNOS and a molecular weight of 335.90 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
PubChem CID14400559
Molecular FormulaC18H22ClNOS
Molecular Weight335.90 g/mol
Exact Mass335.11
IUPAC Name1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
SMILESCN1CCC(Oc2ccc(Sc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C18H21NOS.ClH/c1-19-13-11-16(12-14-19)20-15-7-9-18(10-8-15)21-17-5-3-2-4-6-17;/h2-10,16H,11-14H2,1H3;1H
InChIKeyQNZIMKPCYNNTOR-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride?
The IUPAC name of 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride (CID 14400559) is 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride is CN1CCC(Oc2ccc(Sc3ccccc3)cc2)CC1.Cl.
What is the InChIKey of 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride?
The InChIKey is QNZIMKPCYNNTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS.ClH/c1-19-13-11-16(12-14-19)20-15-7-9-18(10-8-15)21-17-5-3-2-4-6-17;/h2-10,16H,11-14H2,1H3;1H.
What are the key properties of 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride?
1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 14400559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).