(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol

C13H18N2O — CID 104921402

IUPAC(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
SMILESCC1=CCN(c2cc([C@H](C)O)ccn2)CC1
InChIInChI=1S/C13H18N2O/c1-10-4-7-15(8-5-10)13-9-12(11(2)16)3-6-14-13/h3-4,6,9,11,16H,5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyIGUKQHBSHMBEPT-NSHDSACASA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds2

About (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol

(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol (PubChem CID 104921402) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
PubChem CID104921402
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
SMILESCC1=CCN(c2cc([C@H](C)O)ccn2)CC1
InChIInChI=1S/C13H18N2O/c1-10-4-7-15(8-5-10)13-9-12(11(2)16)3-6-14-13/h3-4,6,9,11,16H,5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyIGUKQHBSHMBEPT-NSHDSACASA-N
XLogP2.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol with MolForge

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Related Compounds

1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
CID 81103809
(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
CID 104930323
2-[4-(1-hydroxyethyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862873
(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol
CID 82750432
(1S)-1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-nitrophenyl]ethanol
CID 104921387
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole
CID 178031910
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]ethanol
CID 107393526
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol
CID 114218551
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631
[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine
CID 114412650

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol (CID 104921402) is (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol is CC1=CCN(c2cc([C@H](C)O)ccn2)CC1.
What is the InChIKey of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol?
The InChIKey is IGUKQHBSHMBEPT-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-7-15(8-5-10)13-9-12(11(2)16)3-6-14-13/h3-4,6,9,11,16H,5,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol?
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol is sourced from PubChem (CID 104921402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).