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

C14H21ClN2O2 — CID 119592557

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)N1CCC(N)C(C)C1.Cl
InChIInChI=1S/C14H20N2O2.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
InChIKeyBHMSEDITQHZTND-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.93
Rot. Bonds2

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

(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride (PubChem CID 119592557) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
PubChem CID119592557
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)N1CCC(N)C(C)C1.Cl
InChIInChI=1S/C14H20N2O2.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
InChIKeyBHMSEDITQHZTND-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
CID 119592341
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(4-amino-3-methylpiperidin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone;hydrochloride
CID 119592495
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride (CID 119592557) is (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride is COc1ccccc1C(=O)N1CCC(N)C(C)C1.Cl.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
The InChIKey is BHMSEDITQHZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.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-methoxyphenyl)methanone;hydrochloride?
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.93, 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-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119592557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).