2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride

C16H25ClF2N2 — CID 158997723

IUPAC2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
SMILESCC(F)=C(F)c1ccccn1.CCCC1CCCCN1.Cl
InChIInChI=1S/C8H7F2N.C8H17N.ClH/c1-6(9)8(10)7-4-2-3-5-11-7;1-2-5-8-6-3-4-7-9-8;/h2-5H,1H3;8-9H,2-7H2,1H3;1H
InChIKeyJQYJDZOQLFWKIU-UHFFFAOYSA-N
MW318.84 g/mol
LogP5.06
Rot. Bonds3

About 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride

2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride (PubChem CID 158997723) has the molecular formula C16H25ClF2N2 and a molecular weight of 318.84 g/mol. Its IUPAC name is 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
PubChem CID158997723
Molecular FormulaC16H25ClF2N2
Molecular Weight318.84 g/mol
Exact Mass318.17
IUPAC Name2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
SMILESCC(F)=C(F)c1ccccn1.CCCC1CCCCN1.Cl
InChIInChI=1S/C8H7F2N.C8H17N.ClH/c1-6(9)8(10)7-4-2-3-5-11-7;1-2-5-8-6-3-4-7-9-8;/h2-5H,1H3;8-9H,2-7H2,1H3;1H
InChIKeyJQYJDZOQLFWKIU-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
CID 141039441
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
azane;2-propylpiperidine
CID 156844924
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-(2-piperidin-2-ylethyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 82132508

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride?
The IUPAC name of 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride (CID 158997723) is 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride.
What is the SMILES notation for 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride?
The canonical SMILES for 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride is CC(F)=C(F)c1ccccn1.CCCC1CCCCN1.Cl.
What is the InChIKey of 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride?
The InChIKey is JQYJDZOQLFWKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N.C8H17N.ClH/c1-6(9)8(10)7-4-2-3-5-11-7;1-2-5-8-6-3-4-7-9-8;/h2-5H,1H3;8-9H,2-7H2,1H3;1H.
What are the key properties of 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride?
2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride has a molecular weight of 318.84 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride is sourced from PubChem (CID 158997723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).