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

C15H25N3 — CID 106740967

IUPACN-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)CC1CCNC(C)C1
InChIInChI=1S/C15H25N3/c1-3-18(11-14-4-7-16-8-5-14)12-15-6-9-17-13(2)10-15/h4-5,7-8,13,15,17H,3,6,9-12H2,1-2H3
InChIKeyORIAQRAJJCAQMG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds5

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

N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 106740967) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID106740967
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)CC1CCNC(C)C1
InChIInChI=1S/C15H25N3/c1-3-18(11-14-4-7-16-8-5-14)12-15-6-9-17-13(2)10-15/h4-5,7-8,13,15,17H,3,6,9-12H2,1-2H3
InChIKeyORIAQRAJJCAQMG-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 106740967) is N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)CC1CCNC(C)C1.
What is the InChIKey of N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is ORIAQRAJJCAQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18(11-14-4-7-16-8-5-14)12-15-6-9-17-13(2)10-15/h4-5,7-8,13,15,17H,3,6,9-12H2,1-2H3.
What are the key properties of N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 106740967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).