4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine

C20H31N3O — CID 122657652

IUPAC4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine
SMILESCN1Cc2ccccc2CC12CCN(CCN1CCOCC1)CC2
InChIInChI=1S/C20H31N3O/c1-21-17-19-5-3-2-4-18(19)16-20(21)6-8-22(9-7-20)10-11-23-12-14-24-15-13-23/h2-5H,6-17H2,1H3
InChIKeyCCTDEJQBLBSDLA-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.84
Rot. Bonds3

About 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine

4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine (PubChem CID 122657652) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine
PubChem CID122657652
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine
SMILESCN1Cc2ccccc2CC12CCN(CCN1CCOCC1)CC2
InChIInChI=1S/C20H31N3O/c1-21-17-19-5-3-2-4-18(19)16-20(21)6-8-22(9-7-20)10-11-23-12-14-24-15-13-23/h2-5H,6-17H2,1H3
InChIKeyCCTDEJQBLBSDLA-UHFFFAOYSA-N
XLogP1.84
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
CID 110457303
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162628333
N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
CID 117006197
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531836
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 142740743
4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine
CID 84736332
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973602
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
methane;4-(2-phenylethyl)morpholine
CID 143698819
5-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
CID 15179871

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine (CID 122657652) is 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine is CN1Cc2ccccc2CC12CCN(CCN1CCOCC1)CC2.
What is the InChIKey of 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine?
The InChIKey is CCTDEJQBLBSDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21-17-19-5-3-2-4-18(19)16-20(21)6-8-22(9-7-20)10-11-23-12-14-24-15-13-23/h2-5H,6-17H2,1H3.
What are the key properties of 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine?
4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine has a molecular weight of 329.49 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine is sourced from PubChem (CID 122657652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).