(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine

C19H28N4O — CID 162404086

IUPAC(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine
SMILESCOC[C@]1(Cn2cccn2)CN(Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C19H28N4O/c1-18(2)13-22(12-17-8-5-4-6-9-17)14-19(21-18,16-24-3)15-23-11-7-10-20-23/h4-11,21H,12-16H2,1-3H3/t19-/m1/s1
InChIKeyLRDJZUQAEWFYBQ-LJQANCHMSA-N
MW328.46 g/mol
LogP2.15
Rot. Bonds6

About (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine

(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine (PubChem CID 162404086) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine
PubChem CID162404086
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine
SMILESCOC[C@]1(Cn2cccn2)CN(Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C19H28N4O/c1-18(2)13-22(12-17-8-5-4-6-9-17)14-19(21-18,16-24-3)15-23-11-7-10-20-23/h4-11,21H,12-16H2,1-3H3/t19-/m1/s1
InChIKeyLRDJZUQAEWFYBQ-LJQANCHMSA-N
XLogP2.15
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16188653
CID 16188653
CID 14879863
CID 14879863
CID 16188428
CID 16188428
CID 16191842
CID 16191842
CID 50962406
CID 50962406
CID 16191174
CID 16191174
CID 16191358
CID 16191358
CID 155513256
CID 155513256
CID 42929040
CID 42929040
CID 45829801
CID 45829801
CID 46991461
CID 46991461
CID 50962738
CID 50962738

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine?
The IUPAC name of (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine (CID 162404086) is (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine.
What is the SMILES notation for (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine?
The canonical SMILES for (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine is COC[C@]1(Cn2cccn2)CN(Cc2ccccc2)CC(C)(C)N1.
What is the InChIKey of (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine?
The InChIKey is LRDJZUQAEWFYBQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O/c1-18(2)13-22(12-17-8-5-4-6-9-17)14-19(21-18,16-24-3)15-23-11-7-10-20-23/h4-11,21H,12-16H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine?
(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine is sourced from PubChem (CID 162404086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).