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

C10H19NO — CID 144868090

IUPAC4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
SMILESCCC1=CCN(C(C)C)CC1O
InChIInChI=1S/C10H19NO/c1-4-9-5-6-11(8(2)3)7-10(9)12/h5,8,10,12H,4,6-7H2,1-3H3
InChIKeyXWOXLMQBGXXDAE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds2

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

4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 144868090) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
PubChem CID144868090
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
SMILESCCC1=CCN(C(C)C)CC1O
InChIInChI=1S/C10H19NO/c1-4-9-5-6-11(8(2)3)7-10(9)12/h5,8,10,12H,4,6-7H2,1-3H3
InChIKeyXWOXLMQBGXXDAE-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanol
CID 44368115
(2S,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70681003
(2R,3S)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689425
(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689426
(2S,3S)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689428
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 13994773
(1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl)methanol
CID 18694243
(E,2S,3R)-2-(dimethylamino)-4-methylhex-4-en-3-ol
CID 53786334
(E,2R,3R)-2-(dimethylamino)-4-methylhex-4-en-3-ol
CID 53786335
(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol
CID 59945737
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol
CID 117848932
3-Methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol
CID 117932983

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol (CID 144868090) is 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol is CCC1=CCN(C(C)C)CC1O.
What is the InChIKey of 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is XWOXLMQBGXXDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9-5-6-11(8(2)3)7-10(9)12/h5,8,10,12H,4,6-7H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 144868090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).