4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine

C20H30N2O2 — CID 70717732

IUPAC4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine
SMILESCOc1ccc(/C=C/CN2CCCCC2CN2CCOCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-23-20-9-7-18(8-10-20)5-4-12-22-11-3-2-6-19(22)17-21-13-15-24-16-14-21/h4-5,7-10,19H,2-3,6,11-17H2,1H3/b5-4+
InChIKeyRKSYIBDCFITASG-SNAWJCMRSA-N
MW330.47 g/mol
LogP2.90
Rot. Bonds6

About 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine

4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine (PubChem CID 70717732) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine
PubChem CID70717732
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine
SMILESCOc1ccc(/C=C/CN2CCCCC2CN2CCOCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-23-20-9-7-18(8-10-20)5-4-12-22-11-3-2-6-19(22)17-21-13-15-24-16-14-21/h4-5,7-10,19H,2-3,6,11-17H2,1H3/b5-4+
InChIKeyRKSYIBDCFITASG-SNAWJCMRSA-N
XLogP2.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine
CID 171135048
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane
CID 171134843
(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92857641
(2Z,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92530871
1-(4-methylphenoxy)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 111114259
1-(3-methoxyphenyl)-2-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111489071
(3R)-2-[3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 171320323
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
2-[4-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77098358
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine (CID 70717732) is 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine is COc1ccc(/C=C/CN2CCCCC2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is RKSYIBDCFITASG-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-23-20-9-7-18(8-10-20)5-4-12-22-11-3-2-6-19(22)17-21-13-15-24-16-14-21/h4-5,7-10,19H,2-3,6,11-17H2,1H3/b5-4+.
What are the key properties of 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine?
4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 330.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 70717732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).