N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine

C13H21N3 — CID 83889053

IUPACN-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine
SMILESCNCCc1cc(N2CCCCC2)ccn1
InChIInChI=1S/C13H21N3/c1-14-7-5-12-11-13(6-8-15-12)16-9-3-2-4-10-16/h6,8,11,14H,2-5,7,9-10H2,1H3
InChIKeyZELNRVMBCCMIRF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.83
Rot. Bonds4

About N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine

N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine (PubChem CID 83889053) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine
PubChem CID83889053
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine
SMILESCNCCc1cc(N2CCCCC2)ccn1
InChIInChI=1S/C13H21N3/c1-14-7-5-12-11-13(6-8-15-12)16-9-3-2-4-10-16/h6,8,11,14H,2-5,7,9-10H2,1H3
InChIKeyZELNRVMBCCMIRF-UHFFFAOYSA-N
XLogP1.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine?
The IUPAC name of N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine (CID 83889053) is N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine is CNCCc1cc(N2CCCCC2)ccn1.
What is the InChIKey of N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine?
The InChIKey is ZELNRVMBCCMIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-7-5-12-11-13(6-8-15-12)16-9-3-2-4-10-16/h6,8,11,14H,2-5,7,9-10H2,1H3.
What are the key properties of N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine?
N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83889053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).