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

C25H26N2O3 — CID 29262916

IUPAC(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(O)c1
InChIInChI=1S/C25H26N2O3/c1-30-21-12-13-22(23(28)18-21)25(29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,28H,14-17H2,1H3
InChIKeyKLABALXKZLDSOB-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.95
Rot. Bonds5

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

(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone (PubChem CID 29262916) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
PubChem CID29262916
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(O)c1
InChIInChI=1S/C25H26N2O3/c1-30-21-12-13-22(23(28)18-21)25(29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,28H,14-17H2,1H3
InChIKeyKLABALXKZLDSOB-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-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92768612
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92769784
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
(4-benzyl-1,4-diazepan-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 30469431
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 46100556
(4-benzhydrylpiperazin-1-yl)-[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759077
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone (CID 29262916) is (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(O)c1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is KLABALXKZLDSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-21-12-13-22(23(28)18-21)25(29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,28H,14-17H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-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-4-methoxyphenyl)methanone is sourced from PubChem (CID 29262916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).