3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol

C19H22N4O — CID 57446049

IUPAC3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H22N4O/c24-18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21,24H,2,4,8,12-13H2,(H,20,22)
InChIKeyZEAHQEHAYJCLND-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.35
Rot. Bonds4

About 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol

3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol (PubChem CID 57446049) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol
PubChem CID57446049
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H22N4O/c24-18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21,24H,2,4,8,12-13H2,(H,20,22)
InChIKeyZEAHQEHAYJCLND-UHFFFAOYSA-N
XLogP3.35
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol (CID 57446049) is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol is Oc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is ZEAHQEHAYJCLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21,24H,2,4,8,12-13H2,(H,20,22).
What are the key properties of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol?
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 322.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 57446049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).