1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene

C16H24N2O — CID 174326681

IUPAC1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(C)(C)C(=O)C1CCN(N)CC1.c1cc2ccc1-2
InChIInChI=1S/C10H20N2O.C6H4/c1-10(2,3)9(13)8-4-6-12(11)7-5-8;1-2-6-4-3-5(1)6/h8H,4-7,11H2,1-3H3;1-4H
InChIKeyUACUCOSBGRXEBW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds1

About 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene

1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174326681) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174326681
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(C)(C)C(=O)C1CCN(N)CC1.c1cc2ccc1-2
InChIInChI=1S/C10H20N2O.C6H4/c1-10(2,3)9(13)8-4-6-12(11)7-5-8;1-2-6-4-3-5(1)6/h8H,4-7,11H2,1-3H3;1-4H
InChIKeyUACUCOSBGRXEBW-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727141
1-[(2S)-2-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpropan-1-one
CID 177325234
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
1-[(3S)-1-aminopyrrolidin-3-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 70368268
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
CID 146364197
2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
CID 58228571
1-O-tert-butyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] piperidine-1,4-dicarboxylate
CID 8923898
1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one
CID 129093514

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene (CID 174326681) is 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene is CC(C)(C)C(=O)C1CCN(N)CC1.c1cc2ccc1-2.
What is the InChIKey of 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is UACUCOSBGRXEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C6H4/c1-10(2,3)9(13)8-4-6-12(11)7-5-8;1-2-6-4-3-5(1)6/h8H,4-7,11H2,1-3H3;1-4H.
What are the key properties of 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene?
1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 260.38 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174326681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).