5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one

C13H20N2O — CID 123590386

IUPAC5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one
SMILESCC1(N)C=CC(=O)C(C2CCNCC2)=CC1
InChIInChI=1S/C13H20N2O/c1-13(14)6-2-11(12(16)3-7-13)10-4-8-15-9-5-10/h2-3,7,10,15H,4-6,8-9,14H2,1H3
InChIKeyNYJDTASEDPRJKO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.16
Rot. Bonds1

About 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one

5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one (PubChem CID 123590386) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one.

Molecular Properties

Compound Name5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one
PubChem CID123590386
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one
SMILESCC1(N)C=CC(=O)C(C2CCNCC2)=CC1
InChIInChI=1S/C13H20N2O/c1-13(14)6-2-11(12(16)3-7-13)10-4-8-15-9-5-10/h2-3,7,10,15H,4-6,8-9,14H2,1H3
InChIKeyNYJDTASEDPRJKO-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-bromo-5-methylcyclohepta-2,6-dien-1-one
CID 123289464
4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine
CID 139941668
2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride
CID 155973585
6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 115040087
2-methyl-5-[(3R)-pyrrolidin-3-yl]-1H-pyrazol-3-one
CID 98104484
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
methanamine;4-phenylpiperidine
CID 143444696
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine
CID 89473883
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol
CID 160846113
4-(4-amino-4-piperidin-4-ylcyclohexa-1,5-dien-1-yl)aniline
CID 158841519

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one?
The IUPAC name of 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one (CID 123590386) is 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one.
What is the SMILES notation for 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one?
The canonical SMILES for 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one is CC1(N)C=CC(=O)C(C2CCNCC2)=CC1.
What is the InChIKey of 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one?
The InChIKey is NYJDTASEDPRJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(14)6-2-11(12(16)3-7-13)10-4-8-15-9-5-10/h2-3,7,10,15H,4-6,8-9,14H2,1H3.
What are the key properties of 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one?
5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one has a molecular weight of 220.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one is sourced from PubChem (CID 123590386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).