N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine

C15H25N3 — CID 63854038

IUPACN-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(c2cc(C)ccn2)C1
InChIInChI=1S/C15H25N3/c1-4-16-13(3)14-6-5-9-18(11-14)15-10-12(2)7-8-17-15/h7-8,10,13-14,16H,4-6,9,11H2,1-3H3
InChIKeyFBTDYSKEHVTOST-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine

N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine (PubChem CID 63854038) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine
PubChem CID63854038
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(c2cc(C)ccn2)C1
InChIInChI=1S/C15H25N3/c1-4-16-13(3)14-6-5-9-18(11-14)15-10-12(2)7-8-17-15/h7-8,10,13-14,16H,4-6,9,11H2,1-3H3
InChIKeyFBTDYSKEHVTOST-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine (CID 63854038) is N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(c2cc(C)ccn2)C1.
What is the InChIKey of N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine?
The InChIKey is FBTDYSKEHVTOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-13(3)14-6-5-9-18(11-14)15-10-12(2)7-8-17-15/h7-8,10,13-14,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine?
N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63854038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).