(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine

C30H39N3O2 — CID 10174088

IUPAC(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@@H](C)O[C@@H](C)C5)c4)CC3)cccc2n1
InChIInChI=1S/C30H39N3O2/c1-22-10-11-28-29(31-22)8-5-9-30(28)34-17-16-32-14-12-25(13-15-32)18-26-6-4-7-27(19-26)33-20-23(2)35-24(3)21-33/h4-11,19,23-25H,12-18,20-21H2,1-3H3/t23-,24+
InChIKeyXPWKGSMQZILPKZ-PSWAGMNNSA-N
MW473.66 g/mol
LogP5.49
Rot. Bonds7

About (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine

(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine (PubChem CID 10174088) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
PubChem CID10174088
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Name(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@@H](C)O[C@@H](C)C5)c4)CC3)cccc2n1
InChIInChI=1S/C30H39N3O2/c1-22-10-11-28-29(31-22)8-5-9-30(28)34-17-16-32-14-12-25(13-15-32)18-26-6-4-7-27(19-26)33-20-23(2)35-24(3)21-33/h4-11,19,23-25H,12-18,20-21H2,1-3H3/t23-,24+
InChIKeyXPWKGSMQZILPKZ-PSWAGMNNSA-N
XLogP5.49
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine (CID 10174088) is (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine is Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@@H](C)O[C@@H](C)C5)c4)CC3)cccc2n1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The InChIKey is XPWKGSMQZILPKZ-PSWAGMNNSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-22-10-11-28-29(31-22)8-5-9-30(28)34-17-16-32-14-12-25(13-15-32)18-26-6-4-7-27(19-26)33-20-23(2)35-24(3)21-33/h4-11,19,23-25H,12-18,20-21H2,1-3H3/t23-,24+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine has a molecular weight of 473.66 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 10174088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).