(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine

C17H27N3O — CID 756436

IUPAC(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H27N3O/c1-14-11-20(12-15(2)21-14)17-5-8-19(9-6-17)13-16-4-3-7-18-10-16/h3-4,7,10,14-15,17H,5-6,8-9,11-13H2,1-2H3/t14-,15+
InChIKeyAVZDUXAFQAAHDB-GASCZTMLSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine

(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine (PubChem CID 756436) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
PubChem CID756436
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H27N3O/c1-14-11-20(12-15(2)21-14)17-5-8-19(9-6-17)13-16-4-3-7-18-10-16/h3-4,7,10,14-15,17H,5-6,8-9,11-13H2,1-2H3/t14-,15+
InChIKeyAVZDUXAFQAAHDB-GASCZTMLSA-N
XLogP2.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine with MolForge

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Related Compounds

3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
CID 91831212
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
CID 2910746
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
(2,6-dimethylmorpholin-4-yl)-[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236637

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine (CID 756436) is (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine is C[C@@H]1CN(C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine?
The InChIKey is AVZDUXAFQAAHDB-GASCZTMLSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-11-20(12-15(2)21-14)17-5-8-19(9-6-17)13-16-4-3-7-18-10-16/h3-4,7,10,14-15,17H,5-6,8-9,11-13H2,1-2H3/t14-,15+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine?
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 756436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).