2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol

C17H32N2O — CID 81200547

IUPAC2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol
SMILESCN1CCCC2CN(CC3CCCCCC3O)CCC21
InChIInChI=1S/C17H32N2O/c1-18-10-5-7-14-12-19(11-9-16(14)18)13-15-6-3-2-4-8-17(15)20/h14-17,20H,2-13H2,1H3
InChIKeyPERUHXDHJXCWFM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.34
Rot. Bonds2

About 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol

2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol (PubChem CID 81200547) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol
PubChem CID81200547
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol
SMILESCN1CCCC2CN(CC3CCCCCC3O)CCC21
InChIInChI=1S/C17H32N2O/c1-18-10-5-7-14-12-19(11-9-16(14)18)13-15-6-3-2-4-8-17(15)20/h14-17,20H,2-13H2,1H3
InChIKeyPERUHXDHJXCWFM-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol with MolForge

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Related Compounds

2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63620255
1-methyl-6-[(2-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199045
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
CID 81199726
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 103160150
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81198905
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
2-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 62609875
2-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62611098

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol (CID 81200547) is 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol is CN1CCCC2CN(CC3CCCCCC3O)CCC21.
What is the InChIKey of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol?
The InChIKey is PERUHXDHJXCWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-18-10-5-7-14-12-19(11-9-16(14)18)13-15-6-3-2-4-8-17(15)20/h14-17,20H,2-13H2,1H3.
What are the key properties of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol?
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 81200547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).