1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one

C18H26N2O2 — CID 97400737

IUPAC1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CN(CCO)Cc1ccccc12
InChIInChI=1S/C18H26N2O2/c1-2-17(22)20-9-7-18(8-10-20)14-19(11-12-21)13-15-5-3-4-6-16(15)18/h3-6,21H,2,7-14H2,1H3
InChIKeyZCQIDNUWTXUZGJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one

1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one (PubChem CID 97400737) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one
PubChem CID97400737
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CN(CCO)Cc1ccccc12
InChIInChI=1S/C18H26N2O2/c1-2-17(22)20-9-7-18(8-10-20)14-19(11-12-21)13-15-5-3-4-6-16(15)18/h3-6,21H,2,7-14H2,1H3
InChIKeyZCQIDNUWTXUZGJ-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one (CID 97400737) is 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one is CCC(=O)N1CCC2(CC1)CN(CCO)Cc1ccccc12.
What is the InChIKey of 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one?
The InChIKey is ZCQIDNUWTXUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-17(22)20-9-7-18(8-10-20)14-19(11-12-21)13-15-5-3-4-6-16(15)18/h3-6,21H,2,7-14H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one?
1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]propan-1-one is sourced from PubChem (CID 97400737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).