[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

C14H17N3O2 — CID 54878386

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(CO)CC1
InChIInChI=1S/C14H17N3O2/c18-9-10-5-7-17(8-6-10)14(19)13-11-3-1-2-4-12(11)15-16-13/h1-4,10,18H,5-9H2,(H,15,16)
InChIKeyWPUFCAQCNYPYRY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 54878386) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID54878386
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(CO)CC1
InChIInChI=1S/C14H17N3O2/c18-9-10-5-7-17(8-6-10)14(19)13-11-3-1-2-4-12(11)15-16-13/h1-4,10,18H,5-9H2,(H,15,16)
InChIKeyWPUFCAQCNYPYRY-UHFFFAOYSA-N
XLogP1.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
CID 155946339
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
CID 91907824
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 54878386) is [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is WPUFCAQCNYPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-9-10-5-7-17(8-6-10)14(19)13-11-3-1-2-4-12(11)15-16-13/h1-4,10,18H,5-9H2,(H,15,16).
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.41, 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-indazol-3-yl)methanone is sourced from PubChem (CID 54878386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).