(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine

C19H31N3O — CID 95289094

IUPAC(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine
SMILESC[C@H]1CN(CC2CCN(CCc3ccncc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H31N3O/c1-16-13-22(14-17(2)23-16)15-19-6-11-21(12-7-19)10-5-18-3-8-20-9-4-18/h3-4,8-9,16-17,19H,5-7,10-15H2,1-2H3/t16-,17-/m0/s1
InChIKeySPRXGOCAUKSXNA-IRXDYDNUSA-N
MW317.48 g/mol
LogP2.45
Rot. Bonds5

About (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine

(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine (PubChem CID 95289094) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine
PubChem CID95289094
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine
SMILESC[C@H]1CN(CC2CCN(CCc3ccncc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H31N3O/c1-16-13-22(14-17(2)23-16)15-19-6-11-21(12-7-19)10-5-18-3-8-20-9-4-18/h3-4,8-9,16-17,19H,5-7,10-15H2,1-2H3/t16-,17-/m0/s1
InChIKeySPRXGOCAUKSXNA-IRXDYDNUSA-N
XLogP2.45
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine with MolForge

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Related Compounds

[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
3-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294892
4-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 97120477
N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
CID 78899315
[(3S,4R)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124516
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
CID 156796662
(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
CID 29183665

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine (CID 95289094) is (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine is C[C@H]1CN(CC2CCN(CCc3ccncc3)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine?
The InChIKey is SPRXGOCAUKSXNA-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16-13-22(14-17(2)23-16)15-19-6-11-21(12-7-19)10-5-18-3-8-20-9-4-18/h3-4,8-9,16-17,19H,5-7,10-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine?
(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine has a molecular weight of 317.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 95289094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).