2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

C19H28N2O — CID 97400766

IUPAC2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCN1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1
InChIInChI=1S/C19H28N2O/c1-20-14-16-4-2-3-5-18(16)19(15-20)8-10-21(11-9-19)17-6-12-22-13-7-17/h2-5,17H,6-15H2,1H3
InChIKeyRFPPKERHGFBWFU-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.64
Rot. Bonds1

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

2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (PubChem CID 97400766) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].

Molecular Properties

Compound Name2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
PubChem CID97400766
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCN1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1
InChIInChI=1S/C19H28N2O/c1-20-14-16-4-2-3-5-18(16)19(15-20)8-10-21(11-9-19)17-6-12-22-13-7-17/h2-5,17H,6-15H2,1H3
InChIKeyRFPPKERHGFBWFU-UHFFFAOYSA-N
XLogP2.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The IUPAC name of 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (CID 97400766) is 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].
What is the SMILES notation for 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The canonical SMILES for 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is CN1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1.
What is the InChIKey of 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The InChIKey is RFPPKERHGFBWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20-14-16-4-2-3-5-18(16)19(15-20)8-10-21(11-9-19)17-6-12-22-13-7-17/h2-5,17H,6-15H2,1H3.
What are the key properties of 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] has a molecular weight of 300.45 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-(oxan-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is sourced from PubChem (CID 97400766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).