(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride

C13H19ClN2O2 — CID 119381351

IUPAC(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(14)9-15;/h2-3,6-7,10H,4-5,8-9,14H2,1H3;1H
InChIKeyFGKOLZSOXFYPEM-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.68
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride (PubChem CID 119381351) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
PubChem CID119381351
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(14)9-15;/h2-3,6-7,10H,4-5,8-9,14H2,1H3;1H
InChIKeyFGKOLZSOXFYPEM-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
1-(3-aminopiperidin-1-yl)-3-(2-methoxyphenyl)but-2-en-1-one
CID 126784976
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
CID 166451673
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
CID 119380458

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride (CID 119381351) is (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride is COc1ccccc1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
The InChIKey is FGKOLZSOXFYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(14)9-15;/h2-3,6-7,10H,4-5,8-9,14H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.68, 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-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119381351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).