2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone

C15H22N2O — CID 166226482

IUPAC2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CC2CCCN(C(=O)CN)C2)cc1
InChIInChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)9-14-3-2-8-17(11-14)15(18)10-16/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyQGUFKNCKAZULRH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone

2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 166226482) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID166226482
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CC2CCCN(C(=O)CN)C2)cc1
InChIInChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)9-14-3-2-8-17(11-14)15(18)10-16/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyQGUFKNCKAZULRH-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
1-[3-(bromomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 80660782
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
4-[4-(4-methylphenyl)piperazin-1-yl]-1-[(3R)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidin-1-yl]butan-1-one
CID 58576924
2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 49409732
1,3-benzodioxol-5-yl-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]methanone
CID 97005752
methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 52805498
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone (CID 166226482) is 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone is Cc1ccc(CC2CCCN(C(=O)CN)C2)cc1.
What is the InChIKey of 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is QGUFKNCKAZULRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)9-14-3-2-8-17(11-14)15(18)10-16/h4-7,14H,2-3,8-11,16H2,1H3.
What are the key properties of 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone?
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166226482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).