2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

C28H34N2O3 — CID 22674612

IUPAC2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H34N2O3/c1-29-15-16-30(19-23-17-26(32-3)27(33-4)18-25(23)31-2)20-24(29)28(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18,24,28H,15-16,19-20H2,1-4H3
InChIKeyKRXVVXAWCFAWDR-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.66
Rot. Bonds8

About 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 22674612) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID22674612
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H34N2O3/c1-29-15-16-30(19-23-17-26(32-3)27(33-4)18-25(23)31-2)20-24(29)28(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18,24,28H,15-16,19-20H2,1-4H3
InChIKeyKRXVVXAWCFAWDR-UHFFFAOYSA-N
XLogP4.66
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-benzhydryl-4-methylpiperazin-1-yl)methyl]-3-methoxy-N,N-dimethylaniline
CID 22674937
2-benzhydryl-4-[(5-bromo-2-methoxyphenyl)methyl]-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 22674724
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one
CID 23025461
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
CID 100597337
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one;dihydrochloride
CID 23025460
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3150606
3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 69056339
(8aS)-4-benzhydryl-2-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 70019386
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761
3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203197
(4-benzylpiperazin-1-yl)-[6-[(2,4,5-trimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
CID 45174378
2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 51633509

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 22674612) is 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(OC)cc1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is KRXVVXAWCFAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-29-15-16-30(19-23-17-26(32-3)27(33-4)18-25(23)31-2)20-24(29)28(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18,24,28H,15-16,19-20H2,1-4H3.
What are the key properties of 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 446.59 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 22674612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).