(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

C20H23NOS — CID 24724285

IUPAC(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCSc1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23NOS/c1-23-19-8-4-3-7-18(19)20(22)17-11-9-16(10-12-17)15-21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKeyUMSRVJRBPYWLBT-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.63
Rot. Bonds5

About (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724285) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24724285
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCSc1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23NOS/c1-23-19-8-4-3-7-18(19)20(22)17-11-9-16(10-12-17)15-21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKeyUMSRVJRBPYWLBT-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724364
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (CID 24724285) is (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is CSc1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is UMSRVJRBPYWLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-23-19-8-4-3-7-18(19)20(22)17-11-9-16(10-12-17)15-21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-15H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 325.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).