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

C9H17NO — CID 57434761

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
SMILESCN1CC=C(CCCO)CC1
InChIInChI=1S/C9H17NO/c1-10-6-4-9(5-7-10)3-2-8-11/h4,11H,2-3,5-8H2,1H3
InChIKeyVNXNLXBKDMDACS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

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

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol (PubChem CID 57434761) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
PubChem CID57434761
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
SMILESCN1CC=C(CCCO)CC1
InChIInChI=1S/C9H17NO/c1-10-6-4-9(5-7-10)3-2-8-11/h4,11H,2-3,5-8H2,1H3
InChIKeyVNXNLXBKDMDACS-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol (CID 57434761) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol is CN1CC=C(CCCO)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
The InChIKey is VNXNLXBKDMDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-6-4-9(5-7-10)3-2-8-11/h4,11H,2-3,5-8H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol is sourced from PubChem (CID 57434761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).