4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine

C15H19N — CID 116506684

IUPAC4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc(C3CCC3)cc2)CCNC1
InChIInChI=1S/C15H19N/c1-2-12(3-1)13-4-6-14(7-5-13)15-8-10-16-11-9-15/h4-8,12,16H,1-3,9-11H2
InChIKeyHIQKYAXJGZMUMS-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine

4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 116506684) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID116506684
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc(C3CCC3)cc2)CCNC1
InChIInChI=1S/C15H19N/c1-2-12(3-1)13-4-6-14(7-5-13)15-8-10-16-11-9-15/h4-8,12,16H,1-3,9-11H2
InChIKeyHIQKYAXJGZMUMS-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 18070580
4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine
CID 22599972
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
CID 59268455
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-cyclohexyl-1,2,3,6-tetrahydropyridine
CID 83682461
4-(4-cyclohexylphenyl)azepane
CID 82300190
6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
CID 106521765
4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 23081381
6-(4-cyclobutylphenyl)-1H-pyridin-2-one
CID 106521742
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine (CID 116506684) is 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine is C1=C(c2ccc(C3CCC3)cc2)CCNC1.
What is the InChIKey of 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HIQKYAXJGZMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-12(3-1)13-4-6-14(7-5-13)15-8-10-16-11-9-15/h4-8,12,16H,1-3,9-11H2.
What are the key properties of 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine?
4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 213.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 116506684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).