[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol

C15H21N3O — CID 66057482

IUPAC[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCn1nc(CC2(CO)CCCNC2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-14-6-3-2-5-12(14)13(17-18)9-15(11-19)7-4-8-16-10-15/h2-3,5-6,16,19H,4,7-11H2,1H3
InChIKeyUXGWTTNTOFZWLX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.48
Rot. Bonds3

About [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol

[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 66057482) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID66057482
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCn1nc(CC2(CO)CCCNC2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-14-6-3-2-5-12(14)13(17-18)9-15(11-19)7-4-8-16-10-15/h2-3,5-6,16,19H,4,7-11H2,1H3
InChIKeyUXGWTTNTOFZWLX-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol (CID 66057482) is [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol is Cn1nc(CC2(CO)CCCNC2)c2ccccc21.
What is the InChIKey of [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is UXGWTTNTOFZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-14-6-3-2-5-12(14)13(17-18)9-15(11-19)7-4-8-16-10-15/h2-3,5-6,16,19H,4,7-11H2,1H3.
What are the key properties of [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol?
[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66057482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).