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

C10H19NO — CID 117205619

IUPAC2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCC(C)N1CC=C(CCO)CC1
InChIInChI=1S/C10H19NO/c1-9(2)11-6-3-10(4-7-11)5-8-12/h3,9,12H,4-8H2,1-2H3
InChIKeyWVNVHHDIPBVZII-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

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

2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol (PubChem CID 117205619) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol
PubChem CID117205619
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCC(C)N1CC=C(CCO)CC1
InChIInChI=1S/C10H19NO/c1-9(2)11-6-3-10(4-7-11)5-8-12/h3,9,12H,4-8H2,1-2H3
InChIKeyWVNVHHDIPBVZII-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Qblqaaadgcoxdw-uhfffaoysa-
CID 21598216
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 13362457
4-(2-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 21615236
3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-propan-1-ol
CID 57434761
[4-(Diethylamino)cyclohex-2-en-1-yl]methanol
CID 68199978
2-[1-(6-Methylhepta-1,3,4,6-tetraen-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]ethanol
CID 91138051
2-[4-(Diethylamino)cyclohexen-1-yl]ethanol
CID 91437798
3-Methylidene-5-[methyl(propyl)amino]pentan-1-ol
CID 142034363
5-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]pentan-1-ol
CID 145797530
2-(1-Propan-2-yl-2,3,6,7-tetrahydroazepin-4-yl)ethanol
CID 149053417
2-amino-2-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 153594169
2-amino-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 153594324

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The IUPAC name of 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol (CID 117205619) is 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol.
What is the SMILES notation for 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The canonical SMILES for 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol is CC(C)N1CC=C(CCO)CC1.
What is the InChIKey of 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The InChIKey is WVNVHHDIPBVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)11-6-3-10(4-7-11)5-8-12/h3,9,12H,4-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol is sourced from PubChem (CID 117205619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).