1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol

C21H29N3O3 — CID 134055442

IUPAC1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCOc1cccc(COCC(O)CN2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-26-21-7-4-5-18(13-21)16-27-17-20(25)15-24-11-9-23(10-12-24)14-19-6-2-3-8-22-19/h2-8,13,20,25H,9-12,14-17H2,1H3
InChIKeyFXHGZBUFUUPAHH-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.79
Rot. Bonds9

About 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol

1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 134055442) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID134055442
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCOc1cccc(COCC(O)CN2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-26-21-7-4-5-18(13-21)16-27-17-20(25)15-24-11-9-23(10-12-24)14-19-6-2-3-8-22-19/h2-8,13,20,25H,9-12,14-17H2,1H3
InChIKeyFXHGZBUFUUPAHH-UHFFFAOYSA-N
XLogP1.79
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
CID 78782848
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 2125971
1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
CID 111110705
(2R)-1-[(3-methoxyphenyl)methoxy]-3-(3-pyrazol-1-ylazetidin-1-yl)propan-2-ol
CID 95610532
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
methyl 4-[(2S)-2-hydroxy-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propoxy]benzoate
CID 35170591
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 9498868
(2S)-1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 25339856
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 100835770

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol (CID 134055442) is 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol is COc1cccc(COCC(O)CN2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is FXHGZBUFUUPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-26-21-7-4-5-18(13-21)16-27-17-20(25)15-24-11-9-23(10-12-24)14-19-6-2-3-8-22-19/h2-8,13,20,25H,9-12,14-17H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 371.48 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 134055442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).