(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride

C16H28ClN3O — CID 171183486

IUPAC(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
SMILESCCN(CC)c1ccc([C@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-3-18(4-2)15-7-5-14(6-8-15)16(13-20)19-11-9-17-10-12-19;/h5-8,16-17,20H,3-4,9-13H2,1-2H3;1H/t16-;/m0./s1
InChIKeyAXKGSVWWZFPMRQ-NTISSMGPSA-N
MW313.87 g/mol
LogP1.89
Rot. Bonds6

About (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183486) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183486
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
SMILESCCN(CC)c1ccc([C@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-3-18(4-2)15-7-5-14(6-8-15)16(13-20)19-11-9-17-10-12-19;/h5-8,16-17,20H,3-4,9-13H2,1-2H3;1H/t16-;/m0./s1
InChIKeyAXKGSVWWZFPMRQ-NTISSMGPSA-N
XLogP1.89
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 51.89
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-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;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

N,N-diethyl-4-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]aniline;dihydrochloride
CID 171279375
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366
N,N-diethyl-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline
CID 171302840
N,N-diethyl-4-[(1S)-1-piperazin-1-ylhexyl]aniline
CID 171309273
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171183683

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride (CID 171183486) is (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride is CCN(CC)c1ccc([C@H](CO)N2CCNCC2)cc1.Cl.
What is the InChIKey of (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is AXKGSVWWZFPMRQ-NTISSMGPSA-N. The full InChI is InChI=1S/C16H27N3O.ClH/c1-3-18(4-2)15-7-5-14(6-8-15)16(13-20)19-11-9-17-10-12-19;/h5-8,16-17,20H,3-4,9-13H2,1-2H3;1H/t16-;/m0./s1.
What are the key properties of (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).