4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine

C18H22N2O — CID 102604196

IUPAC4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
SMILESc1ccc(CCN2CCOC(Cc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-2-5-16(6-3-1)8-10-20-11-12-21-18(15-20)13-17-7-4-9-19-14-17/h1-7,9,14,18H,8,10-13,15H2
InChIKeyBPJRQDUCRBJTNZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.57
Rot. Bonds5

About 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine

4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine (PubChem CID 102604196) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
PubChem CID102604196
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
SMILESc1ccc(CCN2CCOC(Cc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-2-5-16(6-3-1)8-10-20-11-12-21-18(15-20)13-17-7-4-9-19-14-17/h1-7,9,14,18H,8,10-13,15H2
InChIKeyBPJRQDUCRBJTNZ-UHFFFAOYSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 124945226
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
2-[(2R)-4-(3-pyridin-3-ylpropyl)morpholin-2-yl]ethanamine
CID 124750899
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
2-benzyl-4-dodecylmorpholine
CID 70634633
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
N-methyl-1-[4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 80502656
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
The IUPAC name of 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine (CID 102604196) is 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
The canonical SMILES for 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine is c1ccc(CCN2CCOC(Cc3cccnc3)C2)cc1.
What is the InChIKey of 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
The InChIKey is BPJRQDUCRBJTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-5-16(6-3-1)8-10-20-11-12-21-18(15-20)13-17-7-4-9-19-14-17/h1-7,9,14,18H,8,10-13,15H2.
What are the key properties of 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine has a molecular weight of 282.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 102604196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).