N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine

C17H28N2 — CID 63644319

IUPACN-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
SMILESCCc1ccc(C(C)N(CC)C2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)14(3)19(5-2)17-7-6-12-18-13-17/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyACBFYQCRZWXJPU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine

N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine (PubChem CID 63644319) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
PubChem CID63644319
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
SMILESCCc1ccc(C(C)N(CC)C2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)14(3)19(5-2)17-7-6-12-18-13-17/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyACBFYQCRZWXJPU-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
CID 107711416
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231866
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
4-[1-[ethyl(piperidin-3-yl)amino]propyl]phenol
CID 63643806
N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299369
N-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine (CID 63644319) is N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine is CCc1ccc(C(C)N(CC)C2CCCNC2)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine?
The InChIKey is ACBFYQCRZWXJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)14(3)19(5-2)17-7-6-12-18-13-17/h8-11,14,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine?
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 63644319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).