1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

C17H33N3 — CID 81200392

IUPAC1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(CCCC3CCCNC3)CCC21
InChIInChI=1S/C17H33N3/c1-19-10-4-7-16-14-20(12-8-17(16)19)11-3-6-15-5-2-9-18-13-15/h15-18H,2-14H2,1H3
InChIKeyTYVSNCOLYPLCKJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds4

About 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 81200392) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID81200392
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(CCCC3CCCNC3)CCC21
InChIInChI=1S/C17H33N3/c1-19-10-4-7-16-14-20(12-8-17(16)19)11-3-6-15-5-2-9-18-13-15/h15-18H,2-14H2,1H3
InChIKeyTYVSNCOLYPLCKJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine with MolForge

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Related Compounds

1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-amine
CID 81199860
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-ol
CID 81198653
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
CID 81199769
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094
N-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]cyclopropanamine
CID 81198729
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-3-ol
CID 106802468
2,2-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoic acid
CID 106714107
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
N-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-2-amine
CID 81199952

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 81200392) is 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is CN1CCCC2CN(CCCC3CCCNC3)CCC21.
What is the InChIKey of 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is TYVSNCOLYPLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-19-10-4-7-16-14-20(12-8-17(16)19)11-3-6-15-5-2-9-18-13-15/h15-18H,2-14H2,1H3.
What are the key properties of 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 81200392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).