(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride

C14H21ClN2OS — CID 119592341

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
SMILESCSc1ccccc1C(=O)N1CCC(N)C(C)C1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-9-16(8-7-12(10)15)14(17)11-5-3-4-6-13(11)18-2;/h3-6,10,12H,7-9,15H2,1-2H3;1H
InChIKeyXCXINNQVMUSBET-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.64
Rot. Bonds2

About (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride

(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride (PubChem CID 119592341) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
PubChem CID119592341
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
SMILESCSc1ccccc1C(=O)N1CCC(N)C(C)C1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-9-16(8-7-12(10)15)14(17)11-5-3-4-6-13(11)18-2;/h3-6,10,12H,7-9,15H2,1-2H3;1H
InChIKeyXCXINNQVMUSBET-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81266324
4-methyl-1-(2-methylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63721880
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 125170268
(2-methylsulfanylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996871
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride (CID 119592341) is (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride is CSc1ccccc1C(=O)N1CCC(N)C(C)C1.Cl.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride?
The InChIKey is XCXINNQVMUSBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-10-9-16(8-7-12(10)15)14(17)11-5-3-4-6-13(11)18-2;/h3-6,10,12H,7-9,15H2,1-2H3;1H.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride?
(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119592341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).