N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine

C19H32N2 — CID 106624693

IUPACN-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)N(CC)CC2CCCNC2)cc1
InChIInChI=1S/C19H32N2/c1-4-16-9-11-18(12-10-16)19(5-2)21(6-3)15-17-8-7-13-20-14-17/h9-12,17,19-20H,4-8,13-15H2,1-3H3
InChIKeyXIWUQYHFSAPALP-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine

N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106624693) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106624693
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)N(CC)CC2CCCNC2)cc1
InChIInChI=1S/C19H32N2/c1-4-16-9-11-18(12-10-16)19(5-2)21(6-3)15-17-8-7-13-20-14-17/h9-12,17,19-20H,4-8,13-15H2,1-3H3
InChIKeyXIWUQYHFSAPALP-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
N-ethyl-N-(piperidin-3-ylmethyl)heptan-4-amine
CID 106624422
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106624693) is N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine is CCc1ccc(C(CC)N(CC)CC2CCCNC2)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is XIWUQYHFSAPALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-16-9-11-18(12-10-16)19(5-2)21(6-3)15-17-8-7-13-20-14-17/h9-12,17,19-20H,4-8,13-15H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106624693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).