N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

C16H33N3 — CID 62416081

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCCN1CCC(CNCCC2CCCCN2C)CC1
InChIInChI=1S/C16H33N3/c1-3-19-12-8-15(9-13-19)14-17-10-7-16-6-4-5-11-18(16)2/h15-17H,3-14H2,1-2H3
InChIKeyREAILHNZAGDYNI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 62416081) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID62416081
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCCN1CCC(CNCCC2CCCCN2C)CC1
InChIInChI=1S/C16H33N3/c1-3-19-12-8-15(9-13-19)14-17-10-7-16-6-4-5-11-18(16)2/h15-17H,3-14H2,1-2H3
InChIKeyREAILHNZAGDYNI-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 107912651
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
N-[(1-ethylpiperidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163841
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (CID 62416081) is N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is CCN1CCC(CNCCC2CCCCN2C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is REAILHNZAGDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-19-12-8-15(9-13-19)14-17-10-7-16-6-4-5-11-18(16)2/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 62416081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).