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

C21H32N2O2 — CID 171135048

IUPAC4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine
SMILESCOc1ccc(C=CCN2CCCCC2CCN2CCOCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-24-21-9-7-19(8-10-21)5-4-13-23-12-3-2-6-20(23)11-14-22-15-17-25-18-16-22/h4-5,7-10,20H,2-3,6,11-18H2,1H3
InChIKeyXQEXSOKOAVLOAP-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.29
Rot. Bonds7

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

4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine (PubChem CID 171135048) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine
PubChem CID171135048
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine
SMILESCOc1ccc(C=CCN2CCCCC2CCN2CCOCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-24-21-9-7-19(8-10-21)5-4-13-23-12-3-2-6-20(23)11-14-22-15-17-25-18-16-22/h4-5,7-10,20H,2-3,6,11-18H2,1H3
InChIKeyXQEXSOKOAVLOAP-UHFFFAOYSA-N
XLogP3.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine (CID 171135048) is 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine is COc1ccc(C=CCN2CCCCC2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine?
The InChIKey is XQEXSOKOAVLOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-24-21-9-7-19(8-10-21)5-4-13-23-12-3-2-6-20(23)11-14-22-15-17-25-18-16-22/h4-5,7-10,20H,2-3,6,11-18H2,1H3.
What are the key properties of 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine?
4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine has a molecular weight of 344.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine is sourced from PubChem (CID 171135048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).