[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride

C14H21ClN2O2 — CID 119275334

IUPAC[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
SMILESCOC1CCN(C(=O)c2ccc(CN)cc2)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-18-13-6-8-16(9-7-13)14(17)12-4-2-11(10-15)3-5-12;/h2-5,13H,6-10,15H2,1H3;1H
InChIKeyGJZOXKOHUIDBSK-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.82
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 119275334) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
PubChem CID119275334
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
SMILESCOC1CCN(C(=O)c2ccc(CN)cc2)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-18-13-6-8-16(9-7-13)14(17)12-4-2-11(10-15)3-5-12;/h2-5,13H,6-10,15H2,1H3;1H
InChIKeyGJZOXKOHUIDBSK-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
CID 43373259
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 166607182
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride (CID 119275334) is [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride is COC1CCN(C(=O)c2ccc(CN)cc2)CC1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is GJZOXKOHUIDBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-18-13-6-8-16(9-7-13)14(17)12-4-2-11(10-15)3-5-12;/h2-5,13H,6-10,15H2,1H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119275334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).