[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C21H26N2O4 — CID 1119141

IUPAC[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-26-19-9-7-17(8-10-19)21(25)23-13-11-22(12-14-23)15-18(24)16-27-20-5-3-2-4-6-20/h2-10,18,24H,11-16H2,1H3/t18-/m1/s1
InChIKeyMMWLIQYSESDIEH-GOSISDBHSA-N
MW370.45 g/mol
LogP1.89
Rot. Bonds7

About [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 1119141) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID1119141
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-26-19-9-7-17(8-10-19)21(25)23-13-11-22(12-14-23)15-18(24)16-27-20-5-3-2-4-6-20/h2-10,18,24H,11-16H2,1H3/t18-/m1/s1
InChIKeyMMWLIQYSESDIEH-GOSISDBHSA-N
XLogP1.89
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 78849337
[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone chloride
CID 43834277
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
CID 119881234
[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55871645
[4-[3-(3-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;hydrochloride
CID 126476891
[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46596156
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
[4-[(3R)-4-[4-[(2S)-4-(4-benzoylpiperazin-1-yl)-2-hydroxybutoxy]phenoxy]-3-hydroxybutyl]piperazin-1-yl]-phenylmethanone
CID 98311938
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 1119141) is [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1.
What is the InChIKey of [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MMWLIQYSESDIEH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-19-9-7-17(8-10-19)21(25)23-13-11-22(12-14-23)15-18(24)16-27-20-5-3-2-4-6-20/h2-10,18,24H,11-16H2,1H3/t18-/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 370.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1119141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).