(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol

C20H26N2O — CID 135137500

IUPAC(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
SMILESCC1CN(Cc2ccccc2)CC(CO)N1Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-17-12-21(13-18-8-4-2-5-9-18)15-20(16-23)22(17)14-19-10-6-3-7-11-19/h2-11,17,20,23H,12-16H2,1H3
InChIKeyATTWTAVPCPKPOB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.75
Rot. Bonds5

About (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol

(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol (PubChem CID 135137500) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
PubChem CID135137500
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
SMILESCC1CN(Cc2ccccc2)CC(CO)N1Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-17-12-21(13-18-8-4-2-5-9-18)15-20(16-23)22(17)14-19-10-6-3-7-11-19/h2-11,17,20,23H,12-16H2,1H3
InChIKeyATTWTAVPCPKPOB-UHFFFAOYSA-N
XLogP2.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
CID 142374999
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
CID 118407524
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233
4-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 135259892
1-[4-[[(3R,5S)-3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 158824822
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485

Frequently Asked Questions

What is the IUPAC name of (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol?
The IUPAC name of (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol (CID 135137500) is (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol.
What is the SMILES notation for (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol?
The canonical SMILES for (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol is CC1CN(Cc2ccccc2)CC(CO)N1Cc1ccccc1.
What is the InChIKey of (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol?
The InChIKey is ATTWTAVPCPKPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-17-12-21(13-18-8-4-2-5-9-18)15-20(16-23)22(17)14-19-10-6-3-7-11-19/h2-11,17,20,23H,12-16H2,1H3.
What are the key properties of (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol?
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol has a molecular weight of 310.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dibenzyl-6-methylpiperazin-2-yl)methanol is sourced from PubChem (CID 135137500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).