(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

C27H32N2O3 — CID 30637665

IUPAC(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2O3/c1-31-25-14-8-9-15-26(25)32-21-24(30)20-28-16-18-29(19-17-28)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,27,30H,16-21H2,1H3/t24-/m1/s1
InChIKeyYJZFPFOXKGDUEG-XMMPIXPASA-N
MW432.56 g/mol
LogP3.84
Rot. Bonds9

About (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 30637665) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID30637665
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2O3/c1-31-25-14-8-9-15-26(25)32-21-24(30)20-28-16-18-29(19-17-28)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,27,30H,16-21H2,1H3/t24-/m1/s1
InChIKeyYJZFPFOXKGDUEG-XMMPIXPASA-N
XLogP3.84
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
1-(4-benzhydrylpiperazin-1-yl)-3-(2-butan-2-ylphenoxy)propan-2-ol;dihydrochloride
CID 171155114
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 7689535
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065755
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 51624788
1-(4-benzhydrylpiperazin-1-yl)-3-[(6-methoxyimino-7,8-dihydro-5H-naphthalen-1-yl)oxy]propan-2-ol
CID 54119037
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 34065761
2-(3,4-dimethoxyphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 70044151
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol (CID 30637665) is (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is YJZFPFOXKGDUEG-XMMPIXPASA-N. The full InChI is InChI=1S/C27H32N2O3/c1-31-25-14-8-9-15-26(25)32-21-24(30)20-28-16-18-29(19-17-28)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,27,30H,16-21H2,1H3/t24-/m1/s1.
What are the key properties of (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 432.56 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 30637665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).