1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]

C16H23NO — CID 59320744

IUPAC1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)OCCc1ccccc12
InChIInChI=1S/C16H23NO/c1-13(2)17-10-8-16(9-11-17)15-6-4-3-5-14(15)7-12-18-16/h3-6,13H,7-12H2,1-2H3
InChIKeyXUBJNPQTPGORLD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.96
Rot. Bonds1

About 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]

1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 59320744) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID59320744
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)OCCc1ccccc12
InChIInChI=1S/C16H23NO/c1-13(2)17-10-8-16(9-11-17)15-6-4-3-5-14(15)7-12-18-16/h3-6,13H,7-12H2,1-2H3
InChIKeyXUBJNPQTPGORLD-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Ethybenztropine
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Hepzidine
CID 70593
1''-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10019485
1''-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10041768
1''-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
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1'-Benzylspiro[isochroman-1,4'-piperidine]
CID 10266413

Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 59320744) is 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] is CC(C)N1CCC2(CC1)OCCc1ccccc12.
What is the InChIKey of 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is XUBJNPQTPGORLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)17-10-8-16(9-11-17)15-6-4-3-5-14(15)7-12-18-16/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 245.37 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 59320744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).