2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

C16H31N3O2 — CID 111113460

IUPAC2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCN(CC(C)(C)O)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,21)13-18-6-4-14(5-7-18)12-15(20)19-10-8-17(3)9-11-19/h14,21H,4-13H2,1-3H3
InChIKeyMOIZHMZKLQYSOR-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.63
Rot. Bonds4

About 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 111113460) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID111113460
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCN(CC(C)(C)O)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,21)13-18-6-4-14(5-7-18)12-15(20)19-10-8-17(3)9-11-19/h14,21H,4-13H2,1-3H3
InChIKeyMOIZHMZKLQYSOR-UHFFFAOYSA-N
XLogP0.63
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone 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

Tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 18715460
2-[1-(2-Methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 56804672
1-[2-(3-Ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 45220435
1-(4-Methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 18715050
2-(1-Acetylpiperidin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 18715068
N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 54284932
4-Methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 67971983
1-[2-(4-Ethylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 68260766
1-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 89616558
1-(4-Ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 95173796
(3S,4R)-4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 140219898
Ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone
CID 166101358

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 111113460) is 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2CCN(CC(C)(C)O)CC2)CC1.
What is the InChIKey of 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MOIZHMZKLQYSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,21)13-18-6-4-14(5-7-18)12-15(20)19-10-8-17(3)9-11-19/h14,21H,4-13H2,1-3H3.
What are the key properties of 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 297.44 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 111113460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).