(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol

C14H22N2O — CID 171189206

IUPAC(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCc1cccc([C@@H](CCO)N2CCNCC2)c1
InChIInChI=1S/C14H22N2O/c1-12-3-2-4-13(11-12)14(5-10-17)16-8-6-15-7-9-16/h2-4,11,14-15,17H,5-10H2,1H3/t14-/m1/s1
InChIKeyARIMDSIDPSAHDD-CQSZACIVSA-N
MW234.34 g/mol
LogP1.32
Rot. Bonds4

About (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol

(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 171189206) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID171189206
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCc1cccc([C@@H](CCO)N2CCNCC2)c1
InChIInChI=1S/C14H22N2O/c1-12-3-2-4-13(11-12)14(5-10-17)16-8-6-15-7-9-16/h2-4,11,14-15,17H,5-10H2,1H3/t14-/m1/s1
InChIKeyARIMDSIDPSAHDD-CQSZACIVSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171189051
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
(3R)-3-(2,5-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189349
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
(3S)-3-(3,4-dibromophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189757
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189484

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 171189206) is (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol is Cc1cccc([C@@H](CCO)N2CCNCC2)c1.
What is the InChIKey of (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is ARIMDSIDPSAHDD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-2-4-13(11-12)14(5-10-17)16-8-6-15-7-9-16/h2-4,11,14-15,17H,5-10H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 171189206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).