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

C15H31N3 — CID 55067022

IUPAC2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCN1CCC(CNCCC2CCCCN2C)CC1
InChIInChI=1S/C15H31N3/c1-17-11-7-14(8-12-17)13-16-9-6-15-5-3-4-10-18(15)2/h14-16H,3-13H2,1-2H3
InChIKeyULMJAPGNTAMWRL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

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

2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 55067022) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID55067022
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCN1CCC(CNCCC2CCCCN2C)CC1
InChIInChI=1S/C15H31N3/c1-17-11-7-14(8-12-17)13-16-9-6-15-5-3-4-10-18(15)2/h14-16H,3-13H2,1-2H3
InChIKeyULMJAPGNTAMWRL-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
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

N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 55067022) is 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is CN1CCC(CNCCC2CCCCN2C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is ULMJAPGNTAMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-11-7-14(8-12-17)13-16-9-6-15-5-3-4-10-18(15)2/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 55067022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).