2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine

C19H31N3 — CID 159309526

IUPAC2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1ccc2c(n1)CCN(CCN1CCCCC1)C2
InChIInChI=1S/C19H31N3/c1-19(2,3)18-8-7-16-15-22(12-9-17(16)20-18)14-13-21-10-5-4-6-11-21/h7-8H,4-6,9-15H2,1-3H3
InChIKeyALCOCKNQDRJDCC-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.22
Rot. Bonds3

About 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine

2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 159309526) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID159309526
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1ccc2c(n1)CCN(CCN1CCCCC1)C2
InChIInChI=1S/C19H31N3/c1-19(2,3)18-8-7-16-15-22(12-9-17(16)20-18)14-13-21-10-5-4-6-11-21/h7-8H,4-6,9-15H2,1-3H3
InChIKeyALCOCKNQDRJDCC-UHFFFAOYSA-N
XLogP3.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100146
2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine
CID 165157964
2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine
CID 145198086
2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
CID 134595685
7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 20655702
N,N-diethyl-3-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-amine
CID 154285406
2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 86671273
N,N-dimethyl-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanamine
CID 134555279
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100139
6-nitro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 139537484
methyl N-[(2S)-1-(2-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 139573504

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 159309526) is 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine is CC(C)(C)c1ccc2c(n1)CCN(CCN1CCCCC1)C2.
What is the InChIKey of 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is ALCOCKNQDRJDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-19(2,3)18-8-7-16-15-22(12-9-17(16)20-18)14-13-21-10-5-4-6-11-21/h7-8H,4-6,9-15H2,1-3H3.
What are the key properties of 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 301.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 159309526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).