[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

C13H23N3O — CID 43817876

IUPAC[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCn1cc(CN2CCCC(CO)C2)c(C)n1
InChIInChI=1S/C13H23N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h9,12,17H,3-8,10H2,1-2H3
InChIKeyPNEFHKBZMBIJTF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.42
Rot. Bonds4

About [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 43817876) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID43817876
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCn1cc(CN2CCCC(CO)C2)c(C)n1
InChIInChI=1S/C13H23N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h9,12,17H,3-8,10H2,1-2H3
InChIKeyPNEFHKBZMBIJTF-UHFFFAOYSA-N
XLogP1.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857205
[(3S)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857204
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 95889064
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 83890851
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51594824
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844042
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72913339

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (CID 43817876) is [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is CCn1cc(CN2CCCC(CO)C2)c(C)n1.
What is the InChIKey of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is PNEFHKBZMBIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h9,12,17H,3-8,10H2,1-2H3.
What are the key properties of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43817876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).