4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol

C19H27N3O2 — CID 171700422

IUPAC4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol
SMILESCc1ccc(OCC2(O)CCN(Cc3cnn(C)c3)CC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-15-4-5-18(10-16(15)2)24-14-19(23)6-8-22(9-7-19)13-17-11-20-21(3)12-17/h4-5,10-12,23H,6-9,13-14H2,1-3H3
InChIKeyKPHUFXMUKWOQLK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.44
Rot. Bonds5

About 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol

4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol (PubChem CID 171700422) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol
PubChem CID171700422
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol
SMILESCc1ccc(OCC2(O)CCN(Cc3cnn(C)c3)CC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-15-4-5-18(10-16(15)2)24-14-19(23)6-8-22(9-7-19)13-17-11-20-21(3)12-17/h4-5,10-12,23H,6-9,13-14H2,1-3H3
InChIKeyKPHUFXMUKWOQLK-UHFFFAOYSA-N
XLogP2.44
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenoxy)methyl]-1-[[3-[3-(4-methylpyrazol-1-yl)propoxy]phenyl]methyl]azepan-4-ol
CID 132767629
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764596
1-[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 155991801
1-[[4-methoxy-3-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132768088
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
(1-methylpyrazol-4-yl)methyl 3-(3,4-dimethylphenoxy)propanoate
CID 78850726
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110082141
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
CID 97472683
1-[3-hydroxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764594

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol (CID 171700422) is 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol is Cc1ccc(OCC2(O)CCN(Cc3cnn(C)c3)CC2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is KPHUFXMUKWOQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-4-5-18(10-16(15)2)24-14-19(23)6-8-22(9-7-19)13-17-11-20-21(3)12-17/h4-5,10-12,23H,6-9,13-14H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol?
4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 329.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 171700422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).