1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine

C17H29N3O — CID 155548455

IUPAC1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(C)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-14-12-15(13-19-10-8-17(21-2)9-11-19)18-20(14)16-6-4-3-5-7-16/h12,16-17H,3-11,13H2,1-2H3
InChIKeyVZYDSHGXBZOVRU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds4

About 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine

1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine (PubChem CID 155548455) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine
PubChem CID155548455
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(C)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-14-12-15(13-19-10-8-17(21-2)9-11-19)18-20(14)16-6-4-3-5-7-16/h12,16-17H,3-11,13H2,1-2H3
InChIKeyVZYDSHGXBZOVRU-UHFFFAOYSA-N
XLogP3.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-Cyclohexyl-5-methylpyrazol-3-yl)methyl]morpholine
CID 155519936
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(3-methylbut-2-enyl)morpholine
CID 53558746
4-(Cyclopentylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53567282
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
2-(3,5-Dimethylpyrazol-1-YL)-1-(4-methoxypiperidin-1-YL)ethanone
CID 71943780
4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)morpholine
CID 52141999
4-[[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]morpholine
CID 140157229
2-[(4-ethoxy-1-piperidinyl)methyl]-5-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56897886
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 72043977
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 95978820
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 95978821
8-[(2,5-Dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
CID 97396875

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine?
The IUPAC name of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine (CID 155548455) is 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine is COC1CCN(Cc2cc(C)n(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine?
The InChIKey is VZYDSHGXBZOVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-12-15(13-19-10-8-17(21-2)9-11-19)18-20(14)16-6-4-3-5-7-16/h12,16-17H,3-11,13H2,1-2H3.
What are the key properties of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine?
1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine has a molecular weight of 291.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 155548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).