N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine

C15H27N3 — CID 20646158

IUPACN-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine
SMILESCCN(CC)CN1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C15H27N3/c1-3-16(4-2)14-17-12-8-15(9-13-17)18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13-14H2,1-2H3
InChIKeySMHMZOPQGNWOLM-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.48
Rot. Bonds5

About N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine

N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine (PubChem CID 20646158) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine
PubChem CID20646158
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine
SMILESCCN(CC)CN1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C15H27N3/c1-3-16(4-2)14-17-12-8-15(9-13-17)18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13-14H2,1-2H3
InChIKeySMHMZOPQGNWOLM-UHFFFAOYSA-N
XLogP2.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1Z,3E)-N,N-diethyl-1-piperidin-1-ylpenta-1,3-dien-1-amine
CID 23267229
(1Z,3E)-1-piperidin-1-yl-N,N-dipropylpenta-1,3-dien-1-amine
CID 134923532
1-(piperidin-1-ylmethyl)-2H-pyridine
CID 409552
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
1-methyl-6-piperidin-1-yl-2H-pyridine
CID 56618453
1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine
CID 59886144
1-[(3Z)-penta-1,3-dien-2-yl]piperidine
CID 88379736
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
CID 89265993
1-methyl-4-piperidin-1-yl-2H-pyridine
CID 121391419
1-Hepta-2,4,6-trien-3-ylpiperidine
CID 123651671
1-Penta-1,3-dien-2-ylpiperidine
CID 123803874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine (CID 20646158) is N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine is CCN(CC)CN1C=CC(N2CCCCC2)=CC1.
What is the InChIKey of N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine?
The InChIKey is SMHMZOPQGNWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-16(4-2)14-17-12-8-15(9-13-17)18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine?
N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-piperidin-1-yl-2H-pyridin-1-yl)methyl]ethanamine is sourced from PubChem (CID 20646158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).