(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride

C16H26ClN3O — CID 171183683

IUPAC(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(N2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C16H25N3O.ClH/c20-13-16(19-11-7-17-8-12-19)14-3-5-15(6-4-14)18-9-1-2-10-18;/h3-6,16-17,20H,1-2,7-13H2;1H/t16-;/m0./s1
InChIKeyGACVCHVSRVMWJS-NTISSMGPSA-N
MW311.86 g/mol
LogP1.65
Rot. Bonds4

About (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride

(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride (PubChem CID 171183683) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
PubChem CID171183683
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(N2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C16H25N3O.ClH/c20-13-16(19-11-7-17-8-12-19)14-3-5-15(6-4-14)18-9-1-2-10-18;/h3-6,16-17,20H,1-2,7-13H2;1H/t16-;/m0./s1
InChIKeyGACVCHVSRVMWJS-NTISSMGPSA-N
XLogP1.65
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;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

(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine
CID 171308505
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171183486
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
(2R)-2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol;hydrochloride
CID 171174552
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride (CID 171183683) is (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride is Cl.OC[C@@H](c1ccc(N2CCCC2)cc1)N1CCNCC1.
What is the InChIKey of (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
The InChIKey is GACVCHVSRVMWJS-NTISSMGPSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c20-13-16(19-11-7-17-8-12-19)14-3-5-15(6-4-14)18-9-1-2-10-18;/h3-6,16-17,20H,1-2,7-13H2;1H/t16-;/m0./s1.
What are the key properties of (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171183683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).