1-cinnolin-4-yl-4-methylpiperidin-3-ol

C14H17N3O — CID 102959211

IUPAC1-cinnolin-4-yl-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cnnc3ccccc23)CC1O
InChIInChI=1S/C14H17N3O/c1-10-6-7-17(9-14(10)18)13-8-15-16-12-5-3-2-4-11(12)13/h2-5,8,10,14,18H,6-7,9H2,1H3
InChIKeyBMBJIJLWHHBIHU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds1

About 1-cinnolin-4-yl-4-methylpiperidin-3-ol

1-cinnolin-4-yl-4-methylpiperidin-3-ol (PubChem CID 102959211) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cinnolin-4-yl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-cinnolin-4-yl-4-methylpiperidin-3-ol
PubChem CID102959211
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-cinnolin-4-yl-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cnnc3ccccc23)CC1O
InChIInChI=1S/C14H17N3O/c1-10-6-7-17(9-14(10)18)13-8-15-16-12-5-3-2-4-11(12)13/h2-5,8,10,14,18H,6-7,9H2,1H3
InChIKeyBMBJIJLWHHBIHU-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cinnolin-4-yl-4-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
CID 102958619
4-(3-bromopiperidin-1-yl)cinnoline
CID 80672341
N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 63586771
2-(1-cinnolin-4-ylazetidin-3-yl)acetic acid
CID 64618649
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
CID 102955884
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid
CID 63586009
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022

Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-yl-4-methylpiperidin-3-ol?
The IUPAC name of 1-cinnolin-4-yl-4-methylpiperidin-3-ol (CID 102959211) is 1-cinnolin-4-yl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-cinnolin-4-yl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-cinnolin-4-yl-4-methylpiperidin-3-ol is CC1CCN(c2cnnc3ccccc23)CC1O.
What is the InChIKey of 1-cinnolin-4-yl-4-methylpiperidin-3-ol?
The InChIKey is BMBJIJLWHHBIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-7-17(9-14(10)18)13-8-15-16-12-5-3-2-4-11(12)13/h2-5,8,10,14,18H,6-7,9H2,1H3.
What are the key properties of 1-cinnolin-4-yl-4-methylpiperidin-3-ol?
1-cinnolin-4-yl-4-methylpiperidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-yl-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).