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

C19H31N3O — CID 91831212

IUPAC(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(CCCc3cccnc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H31N3O/c1-16-14-22(15-17(2)23-16)19-7-11-21(12-8-19)10-4-6-18-5-3-9-20-13-18/h3,5,9,13,16-17,19H,4,6-8,10-12,14-15H2,1-2H3/t16-,17+
InChIKeySOPBXIPYKLWTTD-CALCHBBNSA-N
MW317.48 g/mol
LogP2.59
Rot. Bonds5

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

(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine (PubChem CID 91831212) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
PubChem CID91831212
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(CCCc3cccnc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H31N3O/c1-16-14-22(15-17(2)23-16)19-7-11-21(12-8-19)10-4-6-18-5-3-9-20-13-18/h3,5,9,13,16-17,19H,4,6-8,10-12,14-15H2,1-2H3/t16-,17+
InChIKeySOPBXIPYKLWTTD-CALCHBBNSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
CID 124749207
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
[6-methyl-4-(2-pyridin-3-ylethyl)morpholin-2-yl]methanamine
CID 102938911
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
2-[(2R)-4-(3-pyridin-3-ylpropyl)morpholin-2-yl]ethanamine
CID 124750899
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine (CID 91831212) is (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine is C[C@@H]1CN(C2CCN(CCCc3cccnc3)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine?
The InChIKey is SOPBXIPYKLWTTD-CALCHBBNSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16-14-22(15-17(2)23-16)19-7-11-21(12-8-19)10-4-6-18-5-3-9-20-13-18/h3,5,9,13,16-17,19H,4,6-8,10-12,14-15H2,1-2H3/t16-,17+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine has a molecular weight of 317.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 91831212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).