ethane;4-ethyl-1-(4-ethylphenyl)piperidine

C17H29N — CID 142390325

IUPACethane;4-ethyl-1-(4-ethylphenyl)piperidine
SMILESCC.CCc1ccc(N2CCC(CC)CC2)cc1
InChIInChI=1S/C15H23N.C2H6/c1-3-13-5-7-15(8-6-13)16-11-9-14(4-2)10-12-16;1-2/h5-8,14H,3-4,9-12H2,1-2H3;1-2H3
InChIKeyPLIOAGBEURXDNV-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.90
Rot. Bonds3

About ethane;4-ethyl-1-(4-ethylphenyl)piperidine

ethane;4-ethyl-1-(4-ethylphenyl)piperidine (PubChem CID 142390325) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is ethane;4-ethyl-1-(4-ethylphenyl)piperidine.

Molecular Properties

Compound Nameethane;4-ethyl-1-(4-ethylphenyl)piperidine
PubChem CID142390325
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Nameethane;4-ethyl-1-(4-ethylphenyl)piperidine
SMILESCC.CCc1ccc(N2CCC(CC)CC2)cc1
InChIInChI=1S/C15H23N.C2H6/c1-3-13-5-7-15(8-6-13)16-11-9-14(4-2)10-12-16;1-2/h5-8,14H,3-4,9-12H2,1-2H3;1-2H3
InChIKeyPLIOAGBEURXDNV-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
4-(4-ethylphenyl)morpholine
CID 20576442
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58256894
N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline
CID 174155713
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-(4-ethylphenyl)piperidine?
The IUPAC name of ethane;4-ethyl-1-(4-ethylphenyl)piperidine (CID 142390325) is ethane;4-ethyl-1-(4-ethylphenyl)piperidine.
What is the SMILES notation for ethane;4-ethyl-1-(4-ethylphenyl)piperidine?
The canonical SMILES for ethane;4-ethyl-1-(4-ethylphenyl)piperidine is CC.CCc1ccc(N2CCC(CC)CC2)cc1.
What is the InChIKey of ethane;4-ethyl-1-(4-ethylphenyl)piperidine?
The InChIKey is PLIOAGBEURXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-3-13-5-7-15(8-6-13)16-11-9-14(4-2)10-12-16;1-2/h5-8,14H,3-4,9-12H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-(4-ethylphenyl)piperidine?
ethane;4-ethyl-1-(4-ethylphenyl)piperidine has a molecular weight of 247.43 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-(4-ethylphenyl)piperidine is sourced from PubChem (CID 142390325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).