[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H30N2O6 — CID 3671492

IUPAC[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O6/c1-28-20-13-17(14-21(29-2)22(20)30-3)23(27)25-11-9-24(10-12-25)15-18(26)16-31-19-7-5-4-6-8-19/h4-8,13-14,18,26H,9-12,15-16H2,1-3H3
InChIKeyBYMHOKKWFMROLW-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.91
Rot. Bonds9

About [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 3671492) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID3671492
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O6/c1-28-20-13-17(14-21(29-2)22(20)30-3)23(27)25-11-9-24(10-12-25)15-18(26)16-31-19-7-5-4-6-8-19/h4-8,13-14,18,26H,9-12,15-16H2,1-3H3
InChIKeyBYMHOKKWFMROLW-UHFFFAOYSA-N
XLogP1.91
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 1119161
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 2833082
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
CID 119881234
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone
CID 55544123
[4-[3-(3-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;hydrochloride
CID 126476891
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
[4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849354
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 3671492) is [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BYMHOKKWFMROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-28-20-13-17(14-21(29-2)22(20)30-3)23(27)25-11-9-24(10-12-25)15-18(26)16-31-19-7-5-4-6-8-19/h4-8,13-14,18,26H,9-12,15-16H2,1-3H3.
What are the key properties of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 430.50 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 3671492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).