1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol

C16H24N2O — CID 83132541

IUPAC1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCCC3CCCCC32)cn1
InChIInChI=1S/C16H24N2O/c1-12(19)15-9-8-14(11-17-15)18-10-4-6-13-5-2-3-7-16(13)18/h8-9,11-13,16,19H,2-7,10H2,1H3
InChIKeyVEZWIFCZNFSYPU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.29
Rot. Bonds2

About 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol

1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol (PubChem CID 83132541) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
PubChem CID83132541
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCCC3CCCCC32)cn1
InChIInChI=1S/C16H24N2O/c1-12(19)15-9-8-14(11-17-15)18-10-4-6-13-5-2-3-7-16(13)18/h8-9,11-13,16,19H,2-7,10H2,1H3
InChIKeyVEZWIFCZNFSYPU-UHFFFAOYSA-N
XLogP3.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[5-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132239
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]ethanol
CID 83132593
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940385
(1R)-1-[5-(2-propan-2-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131400
1-[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridinyl]propan-1-amine
CID 102726759
(1S)-1-[5-(2-ethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132296
(1R)-1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanol
CID 102727152
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
CID 103937439
1-[6-(1-hydroxyethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 83131679
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 83131762
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932
(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937555

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol (CID 83132541) is 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol is CC(O)c1ccc(N2CCCC3CCCCC32)cn1.
What is the InChIKey of 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol?
The InChIKey is VEZWIFCZNFSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(19)15-9-8-14(11-17-15)18-10-4-6-13-5-2-3-7-16(13)18/h8-9,11-13,16,19H,2-7,10H2,1H3.
What are the key properties of 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol?
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol has a molecular weight of 260.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83132541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).