N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine

C18H30N2 — CID 71034556

IUPACN-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-19(4-2)16-18-10-8-17(9-11-18)12-15-20-13-6-5-7-14-20/h8-11H,3-7,12-16H2,1-2H3
InChIKeyGOPXJXIGGFERKW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.56
Rot. Bonds7

About N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine (PubChem CID 71034556) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
PubChem CID71034556
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-19(4-2)16-18-10-8-17(9-11-18)12-15-20-13-6-5-7-14-20/h8-11H,3-7,12-16H2,1-2H3
InChIKeyGOPXJXIGGFERKW-UHFFFAOYSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 54295861
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 52543296
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 54462268
1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
CID 57495495
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine
CID 117337032
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine (CID 71034556) is N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(CCN2CCCCC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
The InChIKey is GOPXJXIGGFERKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-19(4-2)16-18-10-8-17(9-11-18)12-15-20-13-6-5-7-14-20/h8-11H,3-7,12-16H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 71034556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).