2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine

C14H21N3 — CID 70126912

IUPAC2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
SMILESC1=CC(CC2CCCNC2)NC2=NCCC=C12
InChIInChI=1S/C14H21N3/c1-3-11(10-15-7-1)9-13-6-5-12-4-2-8-16-14(12)17-13/h4-6,11,13,15H,1-3,7-10H2,(H,16,17)
InChIKeyCQEYJYFJNQNOIW-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.63
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine

2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine (PubChem CID 70126912) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
PubChem CID70126912
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
SMILESC1=CC(CC2CCCNC2)NC2=NCCC=C12
InChIInChI=1S/C14H21N3/c1-3-11(10-15-7-1)9-13-6-5-12-4-2-8-16-14(12)17-13/h4-6,11,13,15H,1-3,7-10H2,(H,16,17)
InChIKeyCQEYJYFJNQNOIW-UHFFFAOYSA-N
XLogP1.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine (CID 70126912) is 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine is C1=CC(CC2CCCNC2)NC2=NCCC=C12.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine?
The InChIKey is CQEYJYFJNQNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-11(10-15-7-1)9-13-6-5-12-4-2-8-16-14(12)17-13/h4-6,11,13,15H,1-3,7-10H2,(H,16,17).
What are the key properties of 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine?
2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine has a molecular weight of 231.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 70126912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).