[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

C20H24N2OS — CID 23587319

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C20H24N2OS/c1-24-19-8-3-2-7-18(19)20(23)22-11-9-16(10-12-22)17-6-4-5-15(13-17)14-21/h2-8,13,16H,9-12,14,21H2,1H3
InChIKeyHGMVEGZUFBPPRH-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.89
Rot. Bonds4

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 23587319) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID23587319
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C20H24N2OS/c1-24-19-8-3-2-7-18(19)20(23)22-11-9-16(10-12-22)17-6-4-5-15(13-17)14-21/h2-8,13,16H,9-12,14,21H2,1H3
InChIKeyHGMVEGZUFBPPRH-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 70947721
3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 22265985
1-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-5-methylsulfanylphenyl]butane-2,3-dione
CID 162052363
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
CID 90213723

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 23587319) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCC(c2cccc(CN)c2)CC1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is HGMVEGZUFBPPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-24-19-8-3-2-7-18(19)20(23)22-11-9-16(10-12-22)17-6-4-5-15(13-17)14-21/h2-8,13,16H,9-12,14,21H2,1H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 340.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 23587319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).