6-tert-butylspiro[chromene-2,4'-piperidine]

C17H23NO — CID 150143821

IUPAC6-tert-butylspiro[chromene-2,4'-piperidine]
SMILESCC(C)(C)c1ccc2c(c1)C=CC1(CCNCC1)O2
InChIInChI=1S/C17H23NO/c1-16(2,3)14-4-5-15-13(12-14)6-7-17(19-15)8-10-18-11-9-17/h4-7,12,18H,8-11H2,1-3H3
InChIKeyFDVHNEBFNAAZNS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds

About 6-tert-butylspiro[chromene-2,4'-piperidine]

6-tert-butylspiro[chromene-2,4'-piperidine] (PubChem CID 150143821) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-tert-butylspiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name6-tert-butylspiro[chromene-2,4'-piperidine]
PubChem CID150143821
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name6-tert-butylspiro[chromene-2,4'-piperidine]
SMILESCC(C)(C)c1ccc2c(c1)C=CC1(CCNCC1)O2
InChIInChI=1S/C17H23NO/c1-16(2,3)14-4-5-15-13(12-14)6-7-17(19-15)8-10-18-11-9-17/h4-7,12,18H,8-11H2,1-3H3
InChIKeyFDVHNEBFNAAZNS-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butoxyspiro[chromene-2,4'-piperidine]
CID 82045814
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
CID 162112541
6-butoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045979
1'-methylspiro[chromene-2,4'-piperidine]-6-amine
CID 57416098
5-(trifluoromethoxy)spiro[chromene-2,4'-piperidine]
CID 58564271
1'-tert-butyl-6-(4-methylsulfonylphenyl)spiro[chromene-2,4'-piperidine]
CID 172826775
2-(6-ethylspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046764
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
(6'-tert-butyl-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-(4-fluorophenyl)methanone
CID 165164706
6-tert-butyl-3-methylidene-4H-1,4-benzoxazine
CID 58094257
2-tert-butyl-9H-xanthene
CID 20815655

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylspiro[chromene-2,4'-piperidine]?
The IUPAC name of 6-tert-butylspiro[chromene-2,4'-piperidine] (CID 150143821) is 6-tert-butylspiro[chromene-2,4'-piperidine].
What is the SMILES notation for 6-tert-butylspiro[chromene-2,4'-piperidine]?
The canonical SMILES for 6-tert-butylspiro[chromene-2,4'-piperidine] is CC(C)(C)c1ccc2c(c1)C=CC1(CCNCC1)O2.
What is the InChIKey of 6-tert-butylspiro[chromene-2,4'-piperidine]?
The InChIKey is FDVHNEBFNAAZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,3)14-4-5-15-13(12-14)6-7-17(19-15)8-10-18-11-9-17/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of 6-tert-butylspiro[chromene-2,4'-piperidine]?
6-tert-butylspiro[chromene-2,4'-piperidine] has a molecular weight of 257.38 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylspiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 150143821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).