(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride

C21H31ClN2O2 — CID 119380637

IUPAC(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
SMILESCOc1cccc(CC2(C(=O)N3CCCC(N)C3)CC3CCC2C3)c1.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-25-19-6-2-4-15(11-19)12-21(13-16-7-8-17(21)10-16)20(24)23-9-3-5-18(22)14-23;/h2,4,6,11,16-18H,3,5,7-10,12-14,22H2,1H3;1H
InChIKeyPGERSPBGGARKKP-UHFFFAOYSA-N
MW378.94 g/mol
LogP3.42
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride (PubChem CID 119380637) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
PubChem CID119380637
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
SMILESCOc1cccc(CC2(C(=O)N3CCCC(N)C3)CC3CCC2C3)c1.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-25-19-6-2-4-15(11-19)12-21(13-16-7-8-17(21)10-16)20(24)23-9-3-5-18(22)14-23;/h2,4,6,11,16-18H,3,5,7-10,12-14,22H2,1H3;1H
InChIKeyPGERSPBGGARKKP-UHFFFAOYSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
CID 120814897
[(1S,2S,4S)-2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-morpholin-4-ylmethanone
CID 98790903
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119498452
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
(2S)-2-[[2-[(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carbonyl]amino]propanoic acid
CID 119942718
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
2-[(3-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62738506

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride (CID 119380637) is (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride is COc1cccc(CC2(C(=O)N3CCCC(N)C3)CC3CCC2C3)c1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
The InChIKey is PGERSPBGGARKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.ClH/c1-25-19-6-2-4-15(11-19)12-21(13-16-7-8-17(21)10-16)20(24)23-9-3-5-18(22)14-23;/h2,4,6,11,16-18H,3,5,7-10,12-14,22H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride has a molecular weight of 378.94 g/mol, XLogP of 3.42, 4 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-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride is sourced from PubChem (CID 119380637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).