(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride

C13H18Cl2N2O2 — CID 119380845

IUPAC(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-9(14)7-11(12)13(17)16-6-2-3-10(15)8-16;/h4-5,7,10H,2-3,6,8,15H2,1H3;1H
InChIKeyUEEIRNODJKNNHF-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.33
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride (PubChem CID 119380845) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
PubChem CID119380845
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-9(14)7-11(12)13(17)16-6-2-3-10(15)8-16;/h4-5,7,10H,2-3,6,8,15H2,1H3;1H
InChIKeyUEEIRNODJKNNHF-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone
CID 119378235
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
(3S)-1-(5-chloro-2-methoxybenzoyl)-N-(1-sulfanylethyl)piperidine-3-carboxamide
CID 145184497

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride (CID 119380845) is (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride is COc1ccc(Cl)cc1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride?
The InChIKey is UEEIRNODJKNNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-9(14)7-11(12)13(17)16-6-2-3-10(15)8-16;/h4-5,7,10H,2-3,6,8,15H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.33, 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)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119380845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).