[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol

C13H19ClN2O — CID 126642108

IUPAC[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol
SMILESCN1C[C@H](Cc2ccc(Cl)cc2)NC[C@@H]1CO
InChIInChI=1S/C13H19ClN2O/c1-16-8-12(15-7-13(16)9-17)6-10-2-4-11(14)5-3-10/h2-5,12-13,15,17H,6-9H2,1H3/t12-,13+/m0/s1
InChIKeySOKHZMAQJLEPHM-QWHCGFSZSA-N
MW254.76 g/mol
LogP1.15
Rot. Bonds3

About [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol

[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 126642108) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol
PubChem CID126642108
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol
SMILESCN1C[C@H](Cc2ccc(Cl)cc2)NC[C@@H]1CO
InChIInChI=1S/C13H19ClN2O/c1-16-8-12(15-7-13(16)9-17)6-10-2-4-11(14)5-3-10/h2-5,12-13,15,17H,6-9H2,1H3/t12-,13+/m0/s1
InChIKeySOKHZMAQJLEPHM-QWHCGFSZSA-N
XLogP1.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol (CID 126642108) is [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol is CN1C[C@H](Cc2ccc(Cl)cc2)NC[C@@H]1CO.
What is the InChIKey of [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is SOKHZMAQJLEPHM-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-8-12(15-7-13(16)9-17)6-10-2-4-11(14)5-3-10/h2-5,12-13,15,17H,6-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol?
[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 126642108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).