6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one

C16H33N3O2 — CID 65291006

IUPAC6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
SMILESCC(C)(O)CN1CCN(C(=O)CCC(C)(C)CCN)CC1
InChIInChI=1S/C16H33N3O2/c1-15(2,7-8-17)6-5-14(20)19-11-9-18(10-12-19)13-16(3,4)21/h21H,5-13,17H2,1-4H3
InChIKeyFXNXGDMONKGSTK-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.06
Rot. Bonds7

About 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one

6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one (PubChem CID 65291006) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
PubChem CID65291006
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
SMILESCC(C)(O)CN1CCN(C(=O)CCC(C)(C)CCN)CC1
InChIInChI=1S/C16H33N3O2/c1-15(2,7-8-17)6-5-14(20)19-11-9-18(10-12-19)13-16(3,4)21/h21H,5-13,17H2,1-4H3
InChIKeyFXNXGDMONKGSTK-UHFFFAOYSA-N
XLogP1.06
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82689328
6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 65291131
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
6-amino-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylhexan-1-one
CID 65293281
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 56803132
1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one?
The IUPAC name of 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one (CID 65291006) is 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one.
What is the SMILES notation for 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one?
The canonical SMILES for 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one is CC(C)(O)CN1CCN(C(=O)CCC(C)(C)CCN)CC1.
What is the InChIKey of 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one?
The InChIKey is FXNXGDMONKGSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-15(2,7-8-17)6-5-14(20)19-11-9-18(10-12-19)13-16(3,4)21/h21H,5-13,17H2,1-4H3.
What are the key properties of 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one?
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one has a molecular weight of 299.46 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one is sourced from PubChem (CID 65291006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).