N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine

C19H32N2 — CID 79697768

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCN(CC1CCNCC1)C(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H32N2/c1-6-21(13-18-7-9-20-10-8-18)17(5)19-15(3)11-14(2)12-16(19)4/h11-12,17-18,20H,6-10,13H2,1-5H3
InChIKeySXMKTTWNJJWJNO-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.99
Rot. Bonds5

About N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine

N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 79697768) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID79697768
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCN(CC1CCNCC1)C(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H32N2/c1-6-21(13-18-7-9-20-10-8-18)17(5)19-15(3)11-14(2)12-16(19)4/h11-12,17-18,20H,6-10,13H2,1-5H3
InChIKeySXMKTTWNJJWJNO-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 79697768) is N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine is CCN(CC1CCNCC1)C(C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is SXMKTTWNJJWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-21(13-18-7-9-20-10-8-18)17(5)19-15(3)11-14(2)12-16(19)4/h11-12,17-18,20H,6-10,13H2,1-5H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine?
N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 79697768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).