[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol

C13H20N2O — CID 178163540

IUPAC[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
SMILESCC1CN(Cc2ccccc2)[C@H](CO)CN1
InChIInChI=1S/C13H20N2O/c1-11-8-15(13(10-16)7-14-11)9-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11?,13-/m0/s1
InChIKeySNWWNGYLHIROPL-YUZLPWPTSA-N
MW220.32 g/mol
LogP0.84
Rot. Bonds3

About [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol

[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol (PubChem CID 178163540) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
PubChem CID178163540
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
SMILESCC1CN(Cc2ccccc2)[C@H](CO)CN1
InChIInChI=1S/C13H20N2O/c1-11-8-15(13(10-16)7-14-11)9-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11?,13-/m0/s1
InChIKeySNWWNGYLHIROPL-YUZLPWPTSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
2-benzyl-1,5-dimethylpiperazine
CID 64844005
5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
CID 64844892
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol (CID 178163540) is [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol is CC1CN(Cc2ccccc2)[C@H](CO)CN1.
What is the InChIKey of [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol?
The InChIKey is SNWWNGYLHIROPL-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-8-15(13(10-16)7-14-11)9-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11?,13-/m0/s1.
What are the key properties of [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol?
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 178163540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).