(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone

C31H30N2O2 — CID 4946404

IUPAC(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H30N2O2/c34-31(28-18-10-11-19-29(28)35-24-25-12-4-1-5-13-25)33-22-20-32(21-23-33)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-19,30H,20-24H2
InChIKeyNAYISANNQWMVDZ-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.81
Rot. Bonds7

About (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone

(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone (PubChem CID 4946404) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
PubChem CID4946404
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H30N2O2/c34-31(28-18-10-11-19-29(28)35-24-25-12-4-1-5-13-25)33-22-20-32(21-23-33)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-19,30H,20-24H2
InChIKeyNAYISANNQWMVDZ-UHFFFAOYSA-N
XLogP5.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
[(3aR,5R,6R,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 133114354
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 38859014
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
[2-[(3-bromophenyl)methoxy]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38909487
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone (CID 4946404) is (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone is O=C(c1ccccc1OCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone?
The InChIKey is NAYISANNQWMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c34-31(28-18-10-11-19-29(28)35-24-25-12-4-1-5-13-25)33-22-20-32(21-23-33)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-19,30H,20-24H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone has a molecular weight of 462.59 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 4946404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).