1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

C10H18FN — CID 130725607

IUPAC1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CCCF)CC1
InChIInChI=1S/C10H18FN/c1-9-4-7-12(6-3-5-11)8-10(9)2/h3-8H2,1-2H3
InChIKeyZHVCRQPQCQWPFG-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.39
Rot. Bonds3

About 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 130725607) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID130725607
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CCCF)CC1
InChIInChI=1S/C10H18FN/c1-9-4-7-12(6-3-5-11)8-10(9)2/h3-8H2,1-2H3
InChIKeyZHVCRQPQCQWPFG-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 89224797
(E)-N-ethyl-4-fluoro-N,3-dimethylpent-3-en-1-amine
CID 89243571
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
CID 134593961
1-(Difluoromethyl)-3,4-di(propan-2-yl)-2,5-dihydropyrrole
CID 140596337
4-fluoro-1,5-dimethyl-3,6-dihydro-2H-pyridine
CID 145304505

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (CID 130725607) is 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=C(C)CN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZHVCRQPQCQWPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9-4-7-12(6-3-5-11)8-10(9)2/h3-8H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130725607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).