7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine

C14H23N3 — CID 70126913

IUPAC7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine
SMILESC1=C(CC2CCCNC2)NC2NCCCC2=C1
InChIInChI=1S/C14H23N3/c1-3-11(10-15-7-1)9-13-6-5-12-4-2-8-16-14(12)17-13/h5-6,11,14-17H,1-4,7-10H2
InChIKeyHEHODTMVJWZXSZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.50
Rot. Bonds2

About 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine

7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine (PubChem CID 70126913) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine
PubChem CID70126913
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine
SMILESC1=C(CC2CCCNC2)NC2NCCCC2=C1
InChIInChI=1S/C14H23N3/c1-3-11(10-15-7-1)9-13-6-5-12-4-2-8-16-14(12)17-13/h5-6,11,14-17H,1-4,7-10H2
InChIKeyHEHODTMVJWZXSZ-UHFFFAOYSA-N
XLogP1.50
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine?
The IUPAC name of 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine (CID 70126913) is 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine?
The canonical SMILES for 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine is C1=C(CC2CCCNC2)NC2NCCCC2=C1.
What is the InChIKey of 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine?
The InChIKey is HEHODTMVJWZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-11(10-15-7-1)9-13-6-5-12-4-2-8-16-14(12)17-13/h5-6,11,14-17H,1-4,7-10H2.
What are the key properties of 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine?
7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine has a molecular weight of 233.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 70126913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).