1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol

C24H29N3O2 — CID 46965834

IUPAC1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1cccn1
InChIInChI=1S/C24H29N3O2/c1-19-5-3-6-22(15-19)24(28)9-13-26(14-10-24)17-20-7-8-23(29-2)21(16-20)18-27-12-4-11-25-27/h3-8,11-12,15-16,28H,9-10,13-14,17-18H2,1-2H3
InChIKeyXUZOSNIJHBKXOO-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.73
Rot. Bonds6

About 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol

1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol (PubChem CID 46965834) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
PubChem CID46965834
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1cccn1
InChIInChI=1S/C24H29N3O2/c1-19-5-3-6-22(15-19)24(28)9-13-26(14-10-24)17-20-7-8-23(29-2)21(16-20)18-27-12-4-11-25-27/h3-8,11-12,15-16,28H,9-10,13-14,17-18H2,1-2H3
InChIKeyXUZOSNIJHBKXOO-UHFFFAOYSA-N
XLogP3.73
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46955110
4-[(dimethylamino)methyl]-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56909684
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45220941
(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897451
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 131909865
1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965802
[5-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90650492

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol (CID 46965834) is 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol is COc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1cccn1.
What is the InChIKey of 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
The InChIKey is XUZOSNIJHBKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-5-3-6-22(15-19)24(28)9-13-26(14-10-24)17-20-7-8-23(29-2)21(16-20)18-27-12-4-11-25-27/h3-8,11-12,15-16,28H,9-10,13-14,17-18H2,1-2H3.
What are the key properties of 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol has a molecular weight of 391.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 46965834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).