5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine

C19H31FN2 — CID 163443495

IUPAC5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine
SMILESC[C@@H]1CC(CCC2CC=C(C3CCC3CCF)C=N2)CCN1
InChIInChI=1S/C19H31FN2/c1-14-12-15(9-11-21-14)2-5-18-6-3-17(13-22-18)19-7-4-16(19)8-10-20/h3,13-16,18-19,21H,2,4-12H2,1H3/t14-,15?,16?,18?,19?/m1/s1
InChIKeyBANXGEAAYROHKZ-RBJRWOKMSA-N
MW306.47 g/mol
LogP4.31
Rot. Bonds6

About 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine

5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine (PubChem CID 163443495) has the molecular formula C19H31FN2 and a molecular weight of 306.47 g/mol. Its IUPAC name is 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine
PubChem CID163443495
Molecular FormulaC19H31FN2
Molecular Weight306.47 g/mol
Exact Mass306.25
IUPAC Name5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine
SMILESC[C@@H]1CC(CCC2CC=C(C3CCC3CCF)C=N2)CCN1
InChIInChI=1S/C19H31FN2/c1-14-12-15(9-11-21-14)2-5-18-6-3-17(13-22-18)19-7-4-16(19)8-10-20/h3,13-16,18-19,21H,2,4-12H2,1H3/t14-,15?,16?,18?,19?/m1/s1
InChIKeyBANXGEAAYROHKZ-RBJRWOKMSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-[3-[[(E)-4-(3-ethylcyclobutyl)-2-methylbut-2-enylidene]amino]butan-2-yl]-1-(6-ethyl-8-methylcyclooct-3-en-1-yl)-5-methyloctan-1-amine
CID 90806351
ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
CID 145074380
8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine
CID 155373414
(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
CID 145074381

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine?
The IUPAC name of 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine (CID 163443495) is 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine.
What is the SMILES notation for 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine?
The canonical SMILES for 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine is C[C@@H]1CC(CCC2CC=C(C3CCC3CCF)C=N2)CCN1.
What is the InChIKey of 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine?
The InChIKey is BANXGEAAYROHKZ-RBJRWOKMSA-N. The full InChI is InChI=1S/C19H31FN2/c1-14-12-15(9-11-21-14)2-5-18-6-3-17(13-22-18)19-7-4-16(19)8-10-20/h3,13-16,18-19,21H,2,4-12H2,1H3/t14-,15?,16?,18?,19?/m1/s1.
What are the key properties of 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine?
5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine has a molecular weight of 306.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine is sourced from PubChem (CID 163443495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).