1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine

C26H30N2O — CID 4529785

IUPAC1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O/c1-2-29-25-16-10-9-15-24(25)21-27-17-19-28(20-18-27)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,26H,2,17-21H2,1H3
InChIKeyZRDZCCGNBAXPPX-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.99
Rot. Bonds7

About 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine

1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine (PubChem CID 4529785) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
PubChem CID4529785
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O/c1-2-29-25-16-10-9-15-24(25)21-27-17-19-28(20-18-27)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,26H,2,17-21H2,1H3
InChIKeyZRDZCCGNBAXPPX-UHFFFAOYSA-N
XLogP4.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328320
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110360003
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-ethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 23358467
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine (CID 4529785) is 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine is CCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine?
The InChIKey is ZRDZCCGNBAXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-2-29-25-16-10-9-15-24(25)21-27-17-19-28(20-18-27)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,26H,2,17-21H2,1H3.
What are the key properties of 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine?
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine has a molecular weight of 386.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4529785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).