1-(2-benzhydrylsulfinylethyl)piperidine

C20H25NOS — CID 19020215

IUPAC1-(2-benzhydrylsulfinylethyl)piperidine
SMILESO=S(CCN1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS/c22-23(17-16-21-14-8-3-9-15-21)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKeyQGCYWVJSFGJYEX-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.01
Rot. Bonds6

About 1-(2-benzhydrylsulfinylethyl)piperidine

1-(2-benzhydrylsulfinylethyl)piperidine (PubChem CID 19020215) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 1-(2-benzhydrylsulfinylethyl)piperidine.

Molecular Properties

Compound Name1-(2-benzhydrylsulfinylethyl)piperidine
PubChem CID19020215
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name1-(2-benzhydrylsulfinylethyl)piperidine
SMILESO=S(CCN1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS/c22-23(17-16-21-14-8-3-9-15-21)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKeyQGCYWVJSFGJYEX-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-[2-[bis(4-methylphenyl)methylsulfinyl]ethyl]piperidine-3-carboxylic acid
CID 53325698
2-benzhydrylsulfinylethanamine
CID 13267785
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
4-phenyl-2-(2-pyrrolidin-1-ylethylsulfinyl)butanoic acid
CID 123118870
1-(6,6-diphenylhexyl)piperidine
CID 161365973
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydrylsulfinylethyl)piperidine?
The IUPAC name of 1-(2-benzhydrylsulfinylethyl)piperidine (CID 19020215) is 1-(2-benzhydrylsulfinylethyl)piperidine.
What is the SMILES notation for 1-(2-benzhydrylsulfinylethyl)piperidine?
The canonical SMILES for 1-(2-benzhydrylsulfinylethyl)piperidine is O=S(CCN1CCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzhydrylsulfinylethyl)piperidine?
The InChIKey is QGCYWVJSFGJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c22-23(17-16-21-14-8-3-9-15-21)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2.
What are the key properties of 1-(2-benzhydrylsulfinylethyl)piperidine?
1-(2-benzhydrylsulfinylethyl)piperidine has a molecular weight of 327.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydrylsulfinylethyl)piperidine is sourced from PubChem (CID 19020215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).