(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine

C18H32N2O — CID 124764201

IUPAC(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)C[C@H](C)O1
InChIInChI=1S/C18H32N2O/c1-13-11-20(12-14(2)21-13)17-5-7-19(8-6-17)18-10-15-3-4-16(18)9-15/h13-18H,3-12H2,1-2H3/t13-,14+,15-,16-,18-/m0/s1
InChIKeyMRYZKUUYIOAOBR-IWSXDTNSSA-N
MW292.47 g/mol
LogP2.75
Rot. Bonds2

About (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 124764201) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID124764201
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)C[C@H](C)O1
InChIInChI=1S/C18H32N2O/c1-13-11-20(12-14(2)21-13)17-5-7-19(8-6-17)18-10-15-3-4-16(18)9-15/h13-18H,3-12H2,1-2H3/t13-,14+,15-,16-,18-/m0/s1
InChIKeyMRYZKUUYIOAOBR-IWSXDTNSSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine (CID 124764201) is (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is MRYZKUUYIOAOBR-IWSXDTNSSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13-11-20(12-14(2)21-13)17-5-7-19(8-6-17)18-10-15-3-4-16(18)9-15/h13-18H,3-12H2,1-2H3/t13-,14+,15-,16-,18-/m0/s1.
What are the key properties of (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 292.47 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 124764201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).