N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

C15H25N3 — CID 81249357

IUPACN-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCC(C)CC1
InChIInChI=1S/C15H25N3/c1-4-16-10-14-11-17-13(3)9-15(14)18-7-5-12(2)6-8-18/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeyRGJTTYSZWVOLNR-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.74
Rot. Bonds4

About N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81249357) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81249357
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCC(C)CC1
InChIInChI=1S/C15H25N3/c1-4-16-10-14-11-17-13(3)9-15(14)18-7-5-12(2)6-8-18/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeyRGJTTYSZWVOLNR-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 81249357) is N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1N1CCC(C)CC1.
What is the InChIKey of N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is RGJTTYSZWVOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-10-14-11-17-13(3)9-15(14)18-7-5-12(2)6-8-18/h9,11-12,16H,4-8,10H2,1-3H3.
What are the key properties of N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81249357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).