(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C17H32N2 — CID 10061372

IUPAC(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CCCN[C@@H]2C1
InChIInChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-9-19(15)2)16-7-5-8-18-17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16+,17-/m1/s1
InChIKeyAYDXLULURNVBKY-JSRQGNBESA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds2

About (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 10061372) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID10061372
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CCCN[C@@H]2C1
InChIInChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-9-19(15)2)16-7-5-8-18-17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16+,17-/m1/s1
InChIKeyAYDXLULURNVBKY-JSRQGNBESA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 3527750
(4aS,5R,7S,8aS)-7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 163122234
7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 163122228
1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 163026405
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
N-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545244
(4aS,7aS)-6-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682676
1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
CID 60978303
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
CID 130417846
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64951928

Frequently Asked Questions

What is the IUPAC name of (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 10061372) is (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CCCN[C@@H]2C1.
What is the InChIKey of (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is AYDXLULURNVBKY-JSRQGNBESA-N. The full InChI is InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-9-19(15)2)16-7-5-8-18-17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16+,17-/m1/s1.
What are the key properties of (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 264.46 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 10061372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).