1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride

C14H27ClN2O2 — CID 71783035

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCN(CC(O)C2CC2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-14(2,3)13(18)16-8-6-15(7-9-16)10-12(17)11-4-5-11;/h11-12,17H,4-10H2,1-3H3;1H
InChIKeyHLKJQKZEUPZNBN-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.37
Rot. Bonds3

About 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 71783035) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID71783035
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCN(CC(O)C2CC2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-14(2,3)13(18)16-8-6-15(7-9-16)10-12(17)11-4-5-11;/h11-12,17H,4-10H2,1-3H3;1H
InChIKeyHLKJQKZEUPZNBN-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride 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

1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82023470
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134472737
4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 97039185
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 71783108
1-(azepan-1-yl)-2-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 97038948
[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 97038831
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 71783092

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (CID 71783035) is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is CC(C)(C)C(=O)N1CCN(CC(O)C2CC2)CC1.Cl.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is HLKJQKZEUPZNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-14(2,3)13(18)16-8-6-15(7-9-16)10-12(17)11-4-5-11;/h11-12,17H,4-10H2,1-3H3;1H.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 71783035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).