1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol

C15H20IN3O — CID 23324052

IUPAC1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol
SMILESOC1CCN(CCCn2nc(I)c3ccccc32)CC1
InChIInChI=1S/C15H20IN3O/c16-15-13-4-1-2-5-14(13)19(17-15)9-3-8-18-10-6-12(20)7-11-18/h1-2,4-5,12,20H,3,6-11H2
InChIKeyOBFKEVNCFFDGET-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.49
Rot. Bonds4

About 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol

1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol (PubChem CID 23324052) has the molecular formula C15H20IN3O and a molecular weight of 385.25 g/mol. Its IUPAC name is 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol
PubChem CID23324052
Molecular FormulaC15H20IN3O
Molecular Weight385.25 g/mol
Exact Mass385.07
IUPAC Name1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol
SMILESOC1CCN(CCCn2nc(I)c3ccccc32)CC1
InChIInChI=1S/C15H20IN3O/c16-15-13-4-1-2-5-14(13)19(17-15)9-3-8-18-10-6-12(20)7-11-18/h1-2,4-5,12,20H,3,6-11H2
InChIKeyOBFKEVNCFFDGET-UHFFFAOYSA-N
XLogP2.49
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-(azepan-1-yl)propyl]-3-bromoindazole
CID 54493358
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 118724839
1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione
CID 69217439
4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine
CID 23324018
1-[4-(N-phenylanilino)butyl]piperidin-4-ol
CID 59372998
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
CID 138461102
5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole
CID 22989612
1-[4-[4-(trifluoromethyl)piperidin-1-yl]butyl]benzotriazole
CID 174721135
3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one
CID 10423377

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol (CID 23324052) is 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol is OC1CCN(CCCn2nc(I)c3ccccc32)CC1.
What is the InChIKey of 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol?
The InChIKey is OBFKEVNCFFDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O/c16-15-13-4-1-2-5-14(13)19(17-15)9-3-8-18-10-6-12(20)7-11-18/h1-2,4-5,12,20H,3,6-11H2.
What are the key properties of 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol?
1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol has a molecular weight of 385.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol is sourced from PubChem (CID 23324052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).