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

C24H32N2O2 — CID 7344375

IUPAC(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1
InChIInChI=1S/C24H32N2O2/c1-19-16-26(17-20(2)27-19)22-11-13-25(14-12-22)18-21-7-6-10-24(15-21)28-23-8-4-3-5-9-23/h3-10,15,19-20,22H,11-14,16-18H2,1-2H3/t19-,20+
InChIKeyLMMVZOBRCFQJEF-BGYRXZFFSA-N
MW380.53 g/mol
LogP4.55
Rot. Bonds5

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

(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 7344375) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
PubChem CID7344375
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1
InChIInChI=1S/C24H32N2O2/c1-19-16-26(17-20(2)27-19)22-11-13-25(14-12-22)18-21-7-6-10-24(15-21)28-23-8-4-3-5-9-23/h3-10,15,19-20,22H,11-14,16-18H2,1-2H3/t19-,20+
InChIKeyLMMVZOBRCFQJEF-BGYRXZFFSA-N
XLogP4.55
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
CID 2910746
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine (CID 7344375) is (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine is C[C@@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is LMMVZOBRCFQJEF-BGYRXZFFSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-16-26(17-20(2)27-19)22-11-13-25(14-12-22)18-21-7-6-10-24(15-21)28-23-8-4-3-5-9-23/h3-10,15,19-20,22H,11-14,16-18H2,1-2H3/t19-,20+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 380.53 g/mol, XLogP of 4.55, 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-phenoxyphenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 7344375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).