4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol

C16H25ClN2O2 — CID 82265877

IUPAC4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(C(O)CCN2CCNCC2)c1O
InChIInChI=1S/C16H25ClN2O2/c1-11(2)13-9-12(17)10-14(16(13)21)15(20)3-6-19-7-4-18-5-8-19/h9-11,15,18,20-21H,3-8H2,1-2H3
InChIKeyYGVHSQGSVPVBQZ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.50
Rot. Bonds5

About 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol

4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol (PubChem CID 82265877) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol
PubChem CID82265877
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(C(O)CCN2CCNCC2)c1O
InChIInChI=1S/C16H25ClN2O2/c1-11(2)13-9-12(17)10-14(16(13)21)15(20)3-6-19-7-4-18-5-8-19/h9-11,15,18,20-21H,3-8H2,1-2H3
InChIKeyYGVHSQGSVPVBQZ-UHFFFAOYSA-N
XLogP2.50
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol 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-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol
CID 82550270
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
2-bromo-4-chloro-6-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171298156
2-chloro-6-(piperazin-1-ylmethyl)-4-propan-2-ylphenol
CID 117425704

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol?
The IUPAC name of 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol (CID 82265877) is 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol.
What is the SMILES notation for 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol?
The canonical SMILES for 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol is CC(C)c1cc(Cl)cc(C(O)CCN2CCNCC2)c1O.
What is the InChIKey of 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol?
The InChIKey is YGVHSQGSVPVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11(2)13-9-12(17)10-14(16(13)21)15(20)3-6-19-7-4-18-5-8-19/h9-11,15,18,20-21H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol?
4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol has a molecular weight of 312.84 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol is sourced from PubChem (CID 82265877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).