2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol

C22H30N2O — CID 118407524

IUPAC2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
SMILESCC1CN(Cc2ccccc2)CC(C(C)(C)O)N1Cc1ccccc1
InChIInChI=1S/C22H30N2O/c1-18-14-23(15-19-10-6-4-7-11-19)17-21(22(2,3)25)24(18)16-20-12-8-5-9-13-20/h4-13,18,21,25H,14-17H2,1-3H3
InChIKeyMOULWBYBBWUBNT-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.53
Rot. Bonds5

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

2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol (PubChem CID 118407524) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
PubChem CID118407524
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
SMILESCC1CN(Cc2ccccc2)CC(C(C)(C)O)N1Cc1ccccc1
InChIInChI=1S/C22H30N2O/c1-18-14-23(15-19-10-6-4-7-11-19)17-21(22(2,3)25)24(18)16-20-12-8-5-9-13-20/h4-13,18,21,25H,14-17H2,1-3H3
InChIKeyMOULWBYBBWUBNT-UHFFFAOYSA-N
XLogP3.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787
1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
CID 142374999
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
4-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 135259892
2-(4-benzylpiperazin-2-yl)propan-2-ol
CID 15087796
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
methyl 4-[[(3R,5S)-4-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367213
4-[[(3R,5S)-4-[(3-chlorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259846
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol?
The IUPAC name of 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol (CID 118407524) is 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol?
The canonical SMILES for 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol is CC1CN(Cc2ccccc2)CC(C(C)(C)O)N1Cc1ccccc1.
What is the InChIKey of 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol?
The InChIKey is MOULWBYBBWUBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18-14-23(15-19-10-6-4-7-11-19)17-21(22(2,3)25)24(18)16-20-12-8-5-9-13-20/h4-13,18,21,25H,14-17H2,1-3H3.
What are the key properties of 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol?
2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol has a molecular weight of 338.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol is sourced from PubChem (CID 118407524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).