2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol

C21H28N2O4 — CID 78782848

IUPAC2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
SMILESCOc1cccc(COCC(O)CN2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C21H28N2O4/c1-26-19-6-4-5-17(13-19)15-27-16-18(24)14-22-9-11-23(12-10-22)20-7-2-3-8-21(20)25/h2-8,13,18,24-25H,9-12,14-16H2,1H3
InChIKeyMCLCLOQWJWWNOJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.10
Rot. Bonds8

About 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol

2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol (PubChem CID 78782848) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
PubChem CID78782848
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
SMILESCOc1cccc(COCC(O)CN2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C21H28N2O4/c1-26-19-6-4-5-17(13-19)15-27-16-18(24)14-22-9-11-23(12-10-22)20-7-2-3-8-21(20)25/h2-8,13,18,24-25H,9-12,14-16H2,1H3
InChIKeyMCLCLOQWJWWNOJ-UHFFFAOYSA-N
XLogP2.10
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 2125971
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 134055442
1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
CID 21237473
1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 3769428
1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
CID 111110705
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 100835770
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846
(2R)-1-[(3-methoxyphenyl)methoxy]-3-(3-pyrazol-1-ylazetidin-1-yl)propan-2-ol
CID 95610532
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 29404375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol (CID 78782848) is 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol is COc1cccc(COCC(O)CN2CCN(c3ccccc3O)CC2)c1.
What is the InChIKey of 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol?
The InChIKey is MCLCLOQWJWWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-19-6-4-5-17(13-19)15-27-16-18(24)14-22-9-11-23(12-10-22)20-7-2-3-8-21(20)25/h2-8,13,18,24-25H,9-12,14-16H2,1H3.
What are the key properties of 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol?
2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol has a molecular weight of 372.47 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol is sourced from PubChem (CID 78782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).