1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone

C17H24N2O — CID 119466651

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESNCC1CCCCN1C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2O/c18-12-16-6-1-2-9-19(16)17(20)11-13-7-8-14-4-3-5-15(14)10-13/h7-8,10,16H,1-6,9,11-12,18H2
InChIKeyAMJXFECUYBRXRG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone

1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 119466651) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID119466651
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESNCC1CCCCN1C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2O/c18-12-16-6-1-2-9-19(16)17(20)11-13-7-8-14-4-3-5-15(14)10-13/h7-8,10,16H,1-6,9,11-12,18H2
InChIKeyAMJXFECUYBRXRG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;hydrochloride
CID 119468471
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidine-2-carboxamide
CID 146123465
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125135147
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603521
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239484
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119468901
6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 85140213
6-[2-[(2S)-2-(diethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10043836
1-[2-(aminomethyl)azepan-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 116639956
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 119634515
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 119466651) is 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone is NCC1CCCCN1C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is AMJXFECUYBRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-12-16-6-1-2-9-19(16)17(20)11-13-7-8-14-4-3-5-15(14)10-13/h7-8,10,16H,1-6,9,11-12,18H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 119466651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).