4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]

C19H21NO — CID 44568829

IUPAC4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc(C2CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-6-15(7-3-1)17-14-19(10-12-20-13-11-19)21-18-9-5-4-8-16(17)18/h1-9,17,20H,10-14H2
InChIKeyWCWLMTUPFMIZFY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.72
Rot. Bonds1

About 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]

4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 44568829) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID44568829
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc(C2CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-6-15(7-3-1)17-14-19(10-12-20-13-11-19)21-18-9-5-4-8-16(17)18/h1-9,17,20H,10-14H2
InChIKeyWCWLMTUPFMIZFY-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 44568829) is 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine] is c1ccc(C2CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is WCWLMTUPFMIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-6-15(7-3-1)17-14-19(10-12-20-13-11-19)21-18-9-5-4-8-16(17)18/h1-9,17,20H,10-14H2.
What are the key properties of 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine]?
4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 279.38 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 44568829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).