[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone

C17H24N2O — CID 124573529

IUPAC[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C17H24N2O/c1-12-6-2-3-8-14(12)15-10-16(15)17(20)19-9-5-4-7-13(19)11-18/h2-3,6,8,13,15-16H,4-5,7,9-11,18H2,1H3/t13-,15+,16+/m1/s1
InChIKeyRCXONPSZIMSIGK-KBMXLJTQSA-N
MW272.39 g/mol
LogP2.44
Rot. Bonds3

About [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone

[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone (PubChem CID 124573529) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
PubChem CID124573529
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C17H24N2O/c1-12-6-2-3-8-14(12)15-10-16(15)17(20)19-9-5-4-7-13(19)11-18/h2-3,6,8,13,15-16H,4-5,7,9-11,18H2,1H3/t13-,15+,16+/m1/s1
InChIKeyRCXONPSZIMSIGK-KBMXLJTQSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide
CID 71977396
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119466453
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 71930075
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 119412430

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone (CID 124573529) is [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone is Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CN.
What is the InChIKey of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone?
The InChIKey is RCXONPSZIMSIGK-KBMXLJTQSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-6-2-3-8-14(12)15-10-16(15)17(20)19-9-5-4-7-13(19)11-18/h2-3,6,8,13,15-16H,4-5,7,9-11,18H2,1H3/t13-,15+,16+/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone?
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 124573529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).