(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride

C14H21ClN2OS — CID 119379154

IUPAC(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
SMILESCSc1ccc(C)c(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-5-6-12(18-2)8-13(10)14(17)16-7-3-4-11(15)9-16;/h5-6,8,11H,3-4,7,9,15H2,1-2H3;1H
InChIKeyBFLOZFAEDCNRKN-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.70
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride (PubChem CID 119379154) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
PubChem CID119379154
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
SMILESCSc1ccc(C)c(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-5-6-12(18-2)8-13(10)14(17)16-7-3-4-11(15)9-16;/h5-6,8,11H,3-4,7,9,15H2,1-2H3;1H
InChIKeyBFLOZFAEDCNRKN-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
[(3R)-3-aminopyrrolidin-1-yl]-(5-methylsulfanyl-2-nitrophenyl)methanone;hydrochloride
CID 119411515
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
(3-aminopiperidin-1-yl)-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119378938
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42942154
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
(3-aminopyrrolidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107027847
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride (CID 119379154) is (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride is CSc1ccc(C)c(C(=O)N2CCCC(N)C2)c1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride?
The InChIKey is BFLOZFAEDCNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-10-5-6-12(18-2)8-13(10)14(17)16-7-3-4-11(15)9-16;/h5-6,8,11H,3-4,7,9,15H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119379154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).