3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol

C15H23ClN2O — CID 62270034

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,12-19)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,19H,7-12H2,1-2H3
InChIKeyHPTVGRPEGLZWAL-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.48
Rot. Bonds4

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol

3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol (PubChem CID 62270034) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
PubChem CID62270034
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,12-19)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,19H,7-12H2,1-2H3
InChIKeyHPTVGRPEGLZWAL-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
4-[4-(4-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453832
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine
CID 62262890
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 3583119
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
CID 62270177
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol (CID 62270034) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol is CC(C)(CO)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is HPTVGRPEGLZWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,12-19)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,19H,7-12H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62270034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).