dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol

C19H24N2O — CID 170598960

IUPACdideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
SMILES[2H]C([2H])(O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/i16D2
InChIKeySOUPGWGAPDMYFM-BPPAMHLBSA-N
MW298.43 g/mol
LogP2.37
Rot. Bonds5

About dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol

dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol (PubChem CID 170598960) has the molecular formula C19H24N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol.

Molecular Properties

Compound Namedideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
PubChem CID170598960
Molecular FormulaC19H24N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Namedideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
SMILES[2H]C([2H])(O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/i16D2
InChIKeySOUPGWGAPDMYFM-BPPAMHLBSA-N
XLogP2.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770

Frequently Asked Questions

What is the IUPAC name of dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol?
The IUPAC name of dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol (CID 170598960) is dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol.
What is the SMILES notation for dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol?
The canonical SMILES for dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol is [2H]C([2H])(O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol?
The InChIKey is SOUPGWGAPDMYFM-BPPAMHLBSA-N. The full InChI is InChI=1S/C19H24N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/i16D2.
What are the key properties of dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol?
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol has a molecular weight of 298.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol is sourced from PubChem (CID 170598960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).