(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

C25H26N2O3 — CID 112760338

IUPAC(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O
InChIInChI=1S/C25H26N2O3/c1-30-22-14-8-13-21(24(22)28)25(29)27-17-15-26(16-18-27)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,23,28H,15-18H2,1H3
InChIKeyXLOQABDMVYWFBK-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.95
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 112760338) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID112760338
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O
InChIInChI=1S/C25H26N2O3/c1-30-22-14-8-13-21(24(22)28)25(29)27-17-15-26(16-18-27)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,23,28H,15-18H2,1H3
InChIKeyXLOQABDMVYWFBK-UHFFFAOYSA-N
XLogP3.95
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 92771946
(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
CID 4946404
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
3-(4-benzhydrylpiperazine-1-carbonyl)-8-methoxychromen-2-one
CID 1167270
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
CID 125430948

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (CID 112760338) is (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is XLOQABDMVYWFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-22-14-8-13-21(24(22)28)25(29)27-17-15-26(16-18-27)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,23,28H,15-18H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 402.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 112760338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).