N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine

C17H28N2 — CID 115211157

IUPACN-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
SMILESCCc1ccc(CCNCCC2CCCCN2)cc1
InChIInChI=1S/C17H28N2/c1-2-15-6-8-16(9-7-15)10-13-18-14-11-17-5-3-4-12-19-17/h6-9,17-19H,2-5,10-14H2,1H3
InChIKeyXXXJPBCFSOUMQS-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine

N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine (PubChem CID 115211157) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
PubChem CID115211157
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
SMILESCCc1ccc(CCNCCC2CCCCN2)cc1
InChIInChI=1S/C17H28N2/c1-2-15-6-8-16(9-7-15)10-13-18-14-11-17-5-3-4-12-19-17/h6-9,17-19H,2-5,10-14H2,1H3
InChIKeyXXXJPBCFSOUMQS-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine (CID 115211157) is N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine is CCc1ccc(CCNCCC2CCCCN2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The InChIKey is XXXJPBCFSOUMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-15-6-8-16(9-7-15)10-13-18-14-11-17-5-3-4-12-19-17/h6-9,17-19H,2-5,10-14H2,1H3.
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine?
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine is sourced from PubChem (CID 115211157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).