3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

C13H18N2O — CID 21357383

IUPAC3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESOCCCN1CC=C(c2ccccn2)CC1
InChIInChI=1S/C13H18N2O/c16-11-3-8-15-9-5-12(6-10-15)13-4-1-2-7-14-13/h1-2,4-5,7,16H,3,6,8-11H2
InChIKeyFUMJNDCLLOJMBS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.55
Rot. Bonds4

About 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (PubChem CID 21357383) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
PubChem CID21357383
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESOCCCN1CC=C(c2ccccn2)CC1
InChIInChI=1S/C13H18N2O/c16-11-3-8-15-9-5-12(6-10-15)13-4-1-2-7-14-13/h1-2,4-5,7,16H,3,6,8-11H2
InChIKeyFUMJNDCLLOJMBS-UHFFFAOYSA-N
XLogP1.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
2-(2-Hydroxyethyl)pyridine
CID 7675
2-Butylpyridine
CID 78750
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
2-Hexylpyridine
CID 70797
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
2-(2-Methoxyethyl)pyridine
CID 66991
N,N-dimethylpyridine-2-ethylamine
CID 80554
5-Ethyl-2-pyridineethanol
CID 78894
Pyripropanol
CID 72922
2-Cyclohex-1-enylethynyl-pyridine
CID 12811063

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The IUPAC name of 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (CID 21357383) is 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is OCCCN1CC=C(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The InChIKey is FUMJNDCLLOJMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-11-3-8-15-9-5-12(6-10-15)13-4-1-2-7-14-13/h1-2,4-5,7,16H,3,6,8-11H2.
What are the key properties of 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 21357383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).