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

C16H24N2O — CID 63765937

IUPAC1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(CCN)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-4-6-14(7-5-13)11-16(19)18-10-2-3-15(12-18)8-9-17/h4-7,15H,2-3,8-12,17H2,1H3
InChIKeyNWFYYUFCMABECU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds4

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

1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 63765937) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID63765937
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(CCN)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-4-6-14(7-5-13)11-16(19)18-10-2-3-15(12-18)8-9-17/h4-7,15H,2-3,8-12,17H2,1H3
InChIKeyNWFYYUFCMABECU-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 62372342
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 120727493
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 63765937) is 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCCC(CCN)C2)cc1.
What is the InChIKey of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is NWFYYUFCMABECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-6-14(7-5-13)11-16(19)18-10-2-3-15(12-18)8-9-17/h4-7,15H,2-3,8-12,17H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 63765937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).