1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol

C13H23N3O — CID 53193291

IUPAC1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
SMILESCc1c(CN2CCC(C(C)O)CC2)cnn1C
InChIInChI=1S/C13H23N3O/c1-10-13(8-14-15(10)3)9-16-6-4-12(5-7-16)11(2)17/h8,11-12,17H,4-7,9H2,1-3H3
InChIKeySNJVLWKKJWTVCD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.32
Rot. Bonds3

About 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 53193291) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
PubChem CID53193291
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
SMILESCc1c(CN2CCC(C(C)O)CC2)cnn1C
InChIInChI=1S/C13H23N3O/c1-10-13(8-14-15(10)3)9-16-6-4-12(5-7-16)11(2)17/h8,11-12,17H,4-7,9H2,1-3H3
InChIKeySNJVLWKKJWTVCD-UHFFFAOYSA-N
XLogP1.32
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-4-ol
CID 70737725
2-[3-methyl-4-({4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-1H-pyrazol-1-yl]ethanol
CID 70767261
2-(3-methoxypropyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidine
CID 70787817
1-[1-[(1-Ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193292
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
7-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197982
2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 28768981
4-Ethoxy-4-methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
CID 137971939
[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164637019
(1-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-3-(propan-2-yl)piperidin-3-yl)methanol
CID 137973924
1-(4,5-Dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol
CID 139409503
{1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,3'-bipiperidin-4-yl}methanol
CID 45191499

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol (CID 53193291) is 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol is Cc1c(CN2CCC(C(C)O)CC2)cnn1C.
What is the InChIKey of 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is SNJVLWKKJWTVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-13(8-14-15(10)3)9-16-6-4-12(5-7-16)11(2)17/h8,11-12,17H,4-7,9H2,1-3H3.
What are the key properties of 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 53193291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).