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

C9H17NO — CID 59945737

IUPAC(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol
SMILESCC(C)N1CC=C(CO)CC1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-11)4-6-10/h3,8,11H,4-7H2,1-2H3
InChIKeyVEYIYMJKNYJOQM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

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

(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol (PubChem CID 59945737) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol
PubChem CID59945737
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol
SMILESCC(C)N1CC=C(CO)CC1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-11)4-6-10/h3,8,11H,4-7H2,1-2H3
InChIKeyVEYIYMJKNYJOQM-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The IUPAC name of (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol (CID 59945737) is (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol.
What is the SMILES notation for (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The canonical SMILES for (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol is CC(C)N1CC=C(CO)CC1.
What is the InChIKey of (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The InChIKey is VEYIYMJKNYJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-11)4-6-10/h3,8,11H,4-7H2,1-2H3.
What are the key properties of (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol?
(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanol is sourced from PubChem (CID 59945737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).