2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine

C18H31N3 — CID 62414478

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C18H31N3/c1-4-16-7-5-6-8-17(16)18(13-19)21-11-9-15(10-12-21)14-20(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyJDORKCYWRFZBPJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine (PubChem CID 62414478) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
PubChem CID62414478
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C18H31N3/c1-4-16-7-5-6-8-17(16)18(13-19)21-11-9-15(10-12-21)14-20(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyJDORKCYWRFZBPJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine (CID 62414478) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine is CCc1ccccc1C(CN)N1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine?
The InChIKey is JDORKCYWRFZBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-16-7-5-6-8-17(16)18(13-19)21-11-9-15(10-12-21)14-20(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine is sourced from PubChem (CID 62414478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).