[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride

C15H23ClN2O3 — CID 119464934

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)N2CCCC(CN)C2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-5-6-14(20-2)13(8-12)15(18)17-7-3-4-11(9-16)10-17;/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3;1H
InChIKeyKOCOIZRRKADEBB-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.94
Rot. Bonds4

About [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride (PubChem CID 119464934) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
PubChem CID119464934
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)N2CCCC(CN)C2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-5-6-14(20-2)13(8-12)15(18)17-7-3-4-11(9-16)10-17;/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3;1H
InChIKeyKOCOIZRRKADEBB-UHFFFAOYSA-N
XLogP1.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120727504
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62355921
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
3-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 25453434
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride (CID 119464934) is [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride is COc1ccc(OC)c(C(=O)N2CCCC(CN)C2)c1.Cl.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride?
The InChIKey is KOCOIZRRKADEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-12-5-6-14(20-2)13(8-12)15(18)17-7-3-4-11(9-16)10-17;/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119464934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).