2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

C14H22N2O — CID 7447550

IUPAC2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCNC[C@H]2CCO)cc1
InChIInChI=1S/C14H22N2O/c1-12-2-4-13(5-3-12)11-16-8-7-15-10-14(16)6-9-17/h2-5,14-15,17H,6-11H2,1H3/t14-/m1/s1
InChIKeyIXXSPKBMIASMPS-CQSZACIVSA-N
MW234.34 g/mol
LogP1.15
Rot. Bonds4

About 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 7447550) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID7447550
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCNC[C@H]2CCO)cc1
InChIInChI=1S/C14H22N2O/c1-12-2-4-13(5-3-12)11-16-8-7-15-10-14(16)6-9-17/h2-5,14-15,17H,6-11H2,1H3/t14-/m1/s1
InChIKeyIXXSPKBMIASMPS-CQSZACIVSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 95165232
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95169826
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28953278
2-[(2S)-1-[(4-methylphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 92666914
2-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 95881137
5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 95863015
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 95861110

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 7447550) is 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCNC[C@H]2CCO)cc1.
What is the InChIKey of 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is IXXSPKBMIASMPS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-2-4-13(5-3-12)11-16-8-7-15-10-14(16)6-9-17/h2-5,14-15,17H,6-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 7447550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).