(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

C19H25ClN2O — CID 171189192

IUPAC(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H24N2O.ClH/c22-15-10-19(21-13-11-20-12-14-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16;/h1-9,19-20,22H,10-15H2;1H/t19-;/m1./s1
InChIKeyORPTUIMDPQTLAQ-FSRHSHDFSA-N
MW332.88 g/mol
LogP3.10
Rot. Bonds5

About (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171189192) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171189192
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H24N2O.ClH/c22-15-10-19(21-13-11-20-12-14-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16;/h1-9,19-20,22H,10-15H2;1H/t19-;/m1./s1
InChIKeyORPTUIMDPQTLAQ-FSRHSHDFSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171188974
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171189192) is (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is Cl.OCC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is ORPTUIMDPQTLAQ-FSRHSHDFSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c22-15-10-19(21-13-11-20-12-14-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16;/h1-9,19-20,22H,10-15H2;1H/t19-;/m1./s1.
What are the key properties of (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171189192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).