1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

C19H28N2O — CID 134079358

IUPAC1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCN1CCC2(CC1)CN(CC1CCOC1)Cc1ccccc12
InChIInChI=1S/C19H28N2O/c1-20-9-7-19(8-10-20)15-21(12-16-6-11-22-14-16)13-17-4-2-3-5-18(17)19/h2-5,16H,6-15H2,1H3
InChIKeySUZJIEAQBNOVLU-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.50
Rot. Bonds2

About 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (PubChem CID 134079358) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
PubChem CID134079358
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCN1CCC2(CC1)CN(CC1CCOC1)Cc1ccccc12
InChIInChI=1S/C19H28N2O/c1-20-9-7-19(8-10-20)15-21(12-16-6-11-22-14-16)13-17-4-2-3-5-18(17)19/h2-5,16H,6-15H2,1H3
InChIKeySUZJIEAQBNOVLU-UHFFFAOYSA-N
XLogP2.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1'-methyl-4-(oxolan-3-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-azepane]
CID 110234562
2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 62822959
1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079354
N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 134073246
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide
CID 131654115
1'-ethyl-7-methyl-4-(oxolan-3-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]
CID 110234258
(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 124521977
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
[1-(oxolan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-pyridin-3-ylmethanone
CID 134078028
1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 56750982
(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The IUPAC name of 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (CID 134079358) is 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].
What is the SMILES notation for 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The canonical SMILES for 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is CN1CCC2(CC1)CN(CC1CCOC1)Cc1ccccc12.
What is the InChIKey of 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The InChIKey is SUZJIEAQBNOVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20-9-7-19(8-10-20)15-21(12-16-6-11-22-14-16)13-17-4-2-3-5-18(17)19/h2-5,16H,6-15H2,1H3.
What are the key properties of 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] has a molecular weight of 300.45 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is sourced from PubChem (CID 134079358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).