[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

C10H15N3O2 — CID 43582926

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O2/c14-7-8-1-3-13(4-2-8)10(15)9-5-11-12-6-9/h5-6,8,14H,1-4,7H2,(H,11,12)
InChIKeyWWEQZSNPJJUNSS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.25
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 43582926) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID43582926
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O2/c14-7-8-1-3-13(4-2-8)10(15)9-5-11-12-6-9/h5-6,8,14H,1-4,7H2,(H,11,12)
InChIKeyWWEQZSNPJJUNSS-UHFFFAOYSA-N
XLogP0.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114801677
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876820
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
2-methyl-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876957
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 43582926) is [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is WWEQZSNPJJUNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-7-8-1-3-13(4-2-8)10(15)9-5-11-12-6-9/h5-6,8,14H,1-4,7H2,(H,11,12).
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43582926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).