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

C13H21N3 — CID 62286451

IUPACN-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine
SMILESCNCc1cc(N2CCCCC2C)ccn1
InChIInChI=1S/C13H21N3/c1-11-5-3-4-8-16(11)13-6-7-15-12(9-13)10-14-2/h6-7,9,11,14H,3-5,8,10H2,1-2H3
InChIKeyWLQMOCJLRLZIRW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds3

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

N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62286451) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine
PubChem CID62286451
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine
SMILESCNCc1cc(N2CCCCC2C)ccn1
InChIInChI=1S/C13H21N3/c1-11-5-3-4-8-16(11)13-6-7-15-12(9-13)10-14-2/h6-7,9,11,14H,3-5,8,10H2,1-2H3
InChIKeyWLQMOCJLRLZIRW-UHFFFAOYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine (CID 62286451) is N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine is CNCc1cc(N2CCCCC2C)ccn1.
What is the InChIKey of N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is WLQMOCJLRLZIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-5-3-4-8-16(11)13-6-7-15-12(9-13)10-14-2/h6-7,9,11,14H,3-5,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine?
N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62286451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).