1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol

C19H27N3O3 — CID 111110705

IUPAC1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
SMILESCOc1cccc(COCC(O)CN2CCC(n3cccn3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-24-19-5-2-4-16(12-19)14-25-15-18(23)13-21-10-6-17(7-11-21)22-9-3-8-20-22/h2-5,8-9,12,17-18,23H,6-7,10-11,13-15H2,1H3
InChIKeyNZNQTVUPMDTBFX-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.11
Rot. Bonds8

About 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol

1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol (PubChem CID 111110705) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
PubChem CID111110705
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
SMILESCOc1cccc(COCC(O)CN2CCC(n3cccn3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-24-19-5-2-4-16(12-19)14-25-15-18(23)13-21-10-6-17(7-11-21)22-9-3-8-20-22/h2-5,8-9,12,17-18,23H,6-7,10-11,13-15H2,1H3
InChIKeyNZNQTVUPMDTBFX-UHFFFAOYSA-N
XLogP2.11
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(3-methoxyphenyl)methoxy]-3-(3-pyrazol-1-ylazetidin-1-yl)propan-2-ol
CID 95610532
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 134055442
2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
CID 78782848
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 100835770
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 2125971
1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 111858515
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol (CID 111110705) is 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol is COc1cccc(COCC(O)CN2CCC(n3cccn3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol?
The InChIKey is NZNQTVUPMDTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-24-19-5-2-4-16(12-19)14-25-15-18(23)13-21-10-6-17(7-11-21)22-9-3-8-20-22/h2-5,8-9,12,17-18,23H,6-7,10-11,13-15H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol?
1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol has a molecular weight of 345.44 g/mol, XLogP of 2.11, 8 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-pyrazol-1-ylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111110705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).