2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine

C19H31N — CID 114426186

IUPAC2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
SMILESCCCCc1ccc(CCC2CC(CC)CCN2)cc1
InChIInChI=1S/C19H31N/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-15-16(4-2)13-14-20-19/h7-10,16,19-20H,3-6,11-15H2,1-2H3
InChIKeyUYPODZCJWHTWMG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.74
Rot. Bonds7

About 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine

2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine (PubChem CID 114426186) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
PubChem CID114426186
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
SMILESCCCCc1ccc(CCC2CC(CC)CCN2)cc1
InChIInChI=1S/C19H31N/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-15-16(4-2)13-14-20-19/h7-10,16,19-20H,3-6,11-15H2,1-2H3
InChIKeyUYPODZCJWHTWMG-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
CID 114426180
4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
CID 114426204
2-(4-butylphenyl)azetidine
CID 55273387
4-ethyl-2-[2-(3-methylthiophen-2-yl)ethyl]piperidine
CID 114426164
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
CID 114426169
[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
CID 59546082
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425722
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
[4-(2-phenylethyl)piperidin-2-yl]methanol
CID 117000550
5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 57174995
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine?
The IUPAC name of 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine (CID 114426186) is 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine.
What is the SMILES notation for 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine?
The canonical SMILES for 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine is CCCCc1ccc(CCC2CC(CC)CCN2)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine?
The InChIKey is UYPODZCJWHTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-15-16(4-2)13-14-20-19/h7-10,16,19-20H,3-6,11-15H2,1-2H3.
What are the key properties of 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine?
2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine has a molecular weight of 273.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine is sourced from PubChem (CID 114426186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).