(1-benzyl-4-methylpiperazin-2-yl)methanol

C13H20N2O — CID 76675584

IUPAC(1-benzyl-4-methylpiperazin-2-yl)methanol
SMILESCN1CCN(Cc2ccccc2)C(CO)C1
InChIInChI=1S/C13H20N2O/c1-14-7-8-15(13(10-14)11-16)9-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKeyJFTRITAAICMOTB-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.79
Rot. Bonds3

About (1-benzyl-4-methylpiperazin-2-yl)methanol

(1-benzyl-4-methylpiperazin-2-yl)methanol (PubChem CID 76675584) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1-benzyl-4-methylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-4-methylpiperazin-2-yl)methanol
PubChem CID76675584
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1-benzyl-4-methylpiperazin-2-yl)methanol
SMILESCN1CCN(Cc2ccccc2)C(CO)C1
InChIInChI=1S/C13H20N2O/c1-14-7-8-15(13(10-14)11-16)9-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKeyJFTRITAAICMOTB-UHFFFAOYSA-N
XLogP0.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
N,N-Dibenzylethanolamine
CID 22657
N-Benzyl-N-methylethanolamine
CID 66876
1-Methyl-4-(1-phenyl-ethyl)-piperazine
CID 14364677
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzylpiperidin-4-ol
CID 78461
2-(Benzylamino)propan-1-ol
CID 138873
(1-Benzylpiperidin-4-yl)methanol
CID 736802
(R)-2-(benzylamino)butan-1-ol
CID 927306

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpiperazin-2-yl)methanol?
The IUPAC name of (1-benzyl-4-methylpiperazin-2-yl)methanol (CID 76675584) is (1-benzyl-4-methylpiperazin-2-yl)methanol.
What is the SMILES notation for (1-benzyl-4-methylpiperazin-2-yl)methanol?
The canonical SMILES for (1-benzyl-4-methylpiperazin-2-yl)methanol is CN1CCN(Cc2ccccc2)C(CO)C1.
What is the InChIKey of (1-benzyl-4-methylpiperazin-2-yl)methanol?
The InChIKey is JFTRITAAICMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-7-8-15(13(10-14)11-16)9-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3.
What are the key properties of (1-benzyl-4-methylpiperazin-2-yl)methanol?
(1-benzyl-4-methylpiperazin-2-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpiperazin-2-yl)methanol is sourced from PubChem (CID 76675584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).