[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone

C19H20ClNOS — CID 156811270

IUPAC[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CSc2ccccc2Cl)cc1)N1CCCCC1
InChIInChI=1S/C19H20ClNOS/c20-17-6-2-3-7-18(17)23-14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyYVCKBTGFFYWKJY-UHFFFAOYSA-N
MW345.90 g/mol
LogP5.26
Rot. Bonds4

About [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone

[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 156811270) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone
PubChem CID156811270
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC Name[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CSc2ccccc2Cl)cc1)N1CCCCC1
InChIInChI=1S/C19H20ClNOS/c20-17-6-2-3-7-18(17)23-14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyYVCKBTGFFYWKJY-UHFFFAOYSA-N
XLogP5.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.90
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone (CID 156811270) is [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(CSc2ccccc2Cl)cc1)N1CCCCC1.
What is the InChIKey of [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is YVCKBTGFFYWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNOS/c20-17-6-2-3-7-18(17)23-14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone?
[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 345.90 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).