N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine

C18H30N2 — CID 114593704

IUPACN-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H30N2/c1-6-19-15(4)17-7-9-18(10-8-17)20-12-13(2)11-14(3)16(20)5/h7-10,13-16,19H,6,11-12H2,1-5H3
InChIKeyGIKWXLDQNBZWKB-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.23
Rot. Bonds4

About N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine

N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 114593704) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID114593704
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H30N2/c1-6-19-15(4)17-7-9-18(10-8-17)20-12-13(2)11-14(3)16(20)5/h7-10,13-16,19H,6,11-12H2,1-5H3
InChIKeyGIKWXLDQNBZWKB-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 114597274
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
1-[4-[1-(ethylamino)ethyl]phenyl]piperidine-2,6-dione
CID 43653773
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533117
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61407251
1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64745947
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
CID 114593654
N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
CID 79179400
N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114594233
N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79687163

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine (CID 114593704) is N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine is CCNC(C)c1ccc(N2CC(C)CC(C)C2C)cc1.
What is the InChIKey of N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is GIKWXLDQNBZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-19-15(4)17-7-9-18(10-8-17)20-12-13(2)11-14(3)16(20)5/h7-10,13-16,19H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine?
N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114593704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).