[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol

C15H23ClN2O — CID 62774618

IUPAC[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
SMILESCCC(C)N1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C15H23ClN2O/c1-3-12(2)17-7-9-18(10-8-17)15-6-4-5-14(16)13(15)11-19/h4-6,12,19H,3,7-11H2,1-2H3
InChIKeyAVJIDGHGBVKYMK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.75
Rot. Bonds4

About [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol

[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol (PubChem CID 62774618) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
PubChem CID62774618
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
SMILESCCC(C)N1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C15H23ClN2O/c1-3-12(2)17-7-9-18(10-8-17)15-6-4-5-14(16)13(15)11-19/h4-6,12,19H,3,7-11H2,1-2H3
InChIKeyAVJIDGHGBVKYMK-UHFFFAOYSA-N
XLogP2.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol 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

2-(4-butan-2-ylpiperazin-1-yl)-6-chlorobenzoic acid
CID 62773833
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 62993803
(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
CID 43121109
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
2-(4-butan-2-ylpiperazin-1-yl)-3-chloroaniline
CID 62774416
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
CID 61221101
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
CID 43537419

Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol?
The IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol (CID 62774618) is [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol.
What is the SMILES notation for [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol?
The canonical SMILES for [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol is CCC(C)N1CCN(c2cccc(Cl)c2CO)CC1.
What is the InChIKey of [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol?
The InChIKey is AVJIDGHGBVKYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-12(2)17-7-9-18(10-8-17)15-6-4-5-14(16)13(15)11-19/h4-6,12,19H,3,7-11H2,1-2H3.
What are the key properties of [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol?
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol has a molecular weight of 282.81 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol is sourced from PubChem (CID 62774618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).