1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol

C18H31N3O — CID 86796019

IUPAC1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(Cc2cn(C)nc2C2CCCCC2)C1
InChIInChI=1S/C18H31N3O/c1-14(22)16-9-6-10-21(12-16)13-17-11-20(2)19-18(17)15-7-4-3-5-8-15/h11,14-16,22H,3-10,12-13H2,1-2H3
InChIKeyZAGNCWIRSNRLBU-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.06
Rot. Bonds4

About 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol

1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 86796019) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID86796019
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(Cc2cn(C)nc2C2CCCCC2)C1
InChIInChI=1S/C18H31N3O/c1-14(22)16-9-6-10-21(12-16)13-17-11-20(2)19-18(17)15-7-4-3-5-8-15/h11,14-16,22H,3-10,12-13H2,1-2H3
InChIKeyZAGNCWIRSNRLBU-UHFFFAOYSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol
CID 99854232
1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909798
3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
CID 126788027
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol
CID 124865065
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
2-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-3-methoxyazetidin-3-yl]-2,2-difluoroacetic acid
CID 167773444
2-[1-[(3-cyclobutyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpyrrolidin-3-yl]acetic acid
CID 166289559
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 86796019) is 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol is CC(O)C1CCCN(Cc2cn(C)nc2C2CCCCC2)C1.
What is the InChIKey of 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is ZAGNCWIRSNRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14(22)16-9-6-10-21(12-16)13-17-11-20(2)19-18(17)15-7-4-3-5-8-15/h11,14-16,22H,3-10,12-13H2,1-2H3.
What are the key properties of 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 305.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 86796019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).