(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol

C15H29NO2 — CID 10682466

IUPAC(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
SMILESCCC[C@@H](O)C[C@@H]1CC=C[C@@H](C[C@H](O)CC)N1C
InChIInChI=1S/C15H29NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h6,8,12-15,17-18H,4-5,7,9-11H2,1-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyVTAUDMKQDLSFJI-BYNSBNAKSA-N
MW255.40 g/mol
LogP2.33
Rot. Bonds7

About (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol

(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol (PubChem CID 10682466) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
PubChem CID10682466
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
SMILESCCC[C@@H](O)C[C@@H]1CC=C[C@@H](C[C@H](O)CC)N1C
InChIInChI=1S/C15H29NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h6,8,12-15,17-18H,4-5,7,9-11H2,1-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyVTAUDMKQDLSFJI-BYNSBNAKSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol with MolForge

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Related Compounds

1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 85231280
2-[(2S,6S)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanone
CID 162981622
(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride
CID 131885053
hexan-3-ol
CID 12178
hexan-3-ol;λ2-plumbane
CID 174675580
(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
octane-3,5-diol;scandium
CID 164810284
1-(1-oxidopiperidin-2-yl)butan-2-ol
CID 101410905
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
hexan-3-ol;thiophene
CID 174528278

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol?
The IUPAC name of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol (CID 10682466) is (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol?
The canonical SMILES for (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol is CCC[C@@H](O)C[C@@H]1CC=C[C@@H](C[C@H](O)CC)N1C.
What is the InChIKey of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol?
The InChIKey is VTAUDMKQDLSFJI-BYNSBNAKSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h6,8,12-15,17-18H,4-5,7,9-11H2,1-3H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol?
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol is sourced from PubChem (CID 10682466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).