1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]

C19H28N2O — CID 121359677

IUPAC1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]
SMILESc1ccc2c(c1)CCNC21CCN(CC2CCOCC2)CC1
InChIInChI=1S/C19H28N2O/c1-2-4-18-17(3-1)5-10-20-19(18)8-11-21(12-9-19)15-16-6-13-22-14-7-16/h1-4,16,20H,5-15H2
InChIKeyZKAJFXUBGRYAQI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.55
Rot. Bonds2

About 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]

1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine] (PubChem CID 121359677) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine].

Molecular Properties

Compound Name1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]
PubChem CID121359677
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]
SMILESc1ccc2c(c1)CCNC21CCN(CC2CCOCC2)CC1
InChIInChI=1S/C19H28N2O/c1-2-4-18-17(3-1)5-10-20-19(18)8-11-21(12-9-19)15-16-6-13-22-14-7-16/h1-4,16,20H,5-15H2
InChIKeyZKAJFXUBGRYAQI-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine] with MolForge

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Related Compounds

ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate
CID 121350888
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802
1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586714
3-(2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethyl)aniline
CID 121359825
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 65409445
spiro[1,2-dihydroindene-3,3'-morpholine]
CID 66995999
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
(4R)-8-(oxan-4-ylmethyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97384049
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
CID 64833278
4-(oxan-4-ylmethyl)morpholine
CID 122244931
4-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 134077759

Frequently Asked Questions

What is the IUPAC name of 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]?
The IUPAC name of 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine] (CID 121359677) is 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine].
What is the SMILES notation for 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]?
The canonical SMILES for 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine] is c1ccc2c(c1)CCNC21CCN(CC2CCOCC2)CC1.
What is the InChIKey of 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]?
The InChIKey is ZKAJFXUBGRYAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-4-18-17(3-1)5-10-20-19(18)8-11-21(12-9-19)15-16-6-13-22-14-7-16/h1-4,16,20H,5-15H2.
What are the key properties of 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]?
1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine] has a molecular weight of 300.45 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine] is sourced from PubChem (CID 121359677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).