1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone

C16H24N2O — CID 117019745

IUPAC1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(CN)C2(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12(19)13-6-8-15(9-7-13)18-10-4-5-14(11-17)16(18,2)3/h6-9,14H,4-5,10-11,17H2,1-3H3
InChIKeyBAPGKNDMHVXSGJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.84
Rot. Bonds3

About 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone

1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone (PubChem CID 117019745) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
PubChem CID117019745
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(CN)C2(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12(19)13-6-8-15(9-7-13)18-10-4-5-14(11-17)16(18,2)3/h6-9,14H,4-5,10-11,17H2,1-3H3
InChIKeyBAPGKNDMHVXSGJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019247
1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020066
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone
CID 142154089
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone (CID 117019745) is 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCCC(CN)C2(C)C)cc1.
What is the InChIKey of 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
The InChIKey is BAPGKNDMHVXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(19)13-6-8-15(9-7-13)18-10-4-5-14(11-17)16(18,2)3/h6-9,14H,4-5,10-11,17H2,1-3H3.
What are the key properties of 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 117019745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).