[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone

C15H23N3O — CID 63341086

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
SMILESCC(C)(CN)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,12-16)18-10-8-17(9-11-18)14(19)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyYZFDWTFQQWHBAU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.18
Rot. Bonds3

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 63341086) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
PubChem CID63341086
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
SMILESCC(C)(CN)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,12-16)18-10-8-17(9-11-18)14(19)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyYZFDWTFQQWHBAU-UHFFFAOYSA-N
XLogP1.18
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
CID 64678812
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479699
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 63341090
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107721319
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 147395489
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone (CID 63341086) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone is CC(C)(CN)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is YZFDWTFQQWHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,12-16)18-10-8-17(9-11-18)14(19)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 261.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 63341086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).