6-butoxyspiro[chromene-2,4'-piperidine]

C17H23NO2 — CID 82045814

IUPAC6-butoxyspiro[chromene-2,4'-piperidine]
SMILESCCCCOc1ccc2c(c1)C=CC1(CCNCC1)O2
InChIInChI=1S/C17H23NO2/c1-2-3-12-19-15-4-5-16-14(13-15)6-7-17(20-16)8-10-18-11-9-17/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyHDAOSDRWTGSRQX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.39
Rot. Bonds4

About 6-butoxyspiro[chromene-2,4'-piperidine]

6-butoxyspiro[chromene-2,4'-piperidine] (PubChem CID 82045814) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-butoxyspiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name6-butoxyspiro[chromene-2,4'-piperidine]
PubChem CID82045814
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6-butoxyspiro[chromene-2,4'-piperidine]
SMILESCCCCOc1ccc2c(c1)C=CC1(CCNCC1)O2
InChIInChI=1S/C17H23NO2/c1-2-3-12-19-15-4-5-16-14(13-15)6-7-17(20-16)8-10-18-11-9-17/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyHDAOSDRWTGSRQX-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045979
6-tert-butylspiro[chromene-2,4'-piperidine]
CID 150143821
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
CID 162112541
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide
CID 21300933
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
5-butoxy-3H-1,2-benzodioxole
CID 88819864
6-ethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046925
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
6-hexoxy-2H-chromene-3-carbaldehyde
CID 14971262
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848

Frequently Asked Questions

What is the IUPAC name of 6-butoxyspiro[chromene-2,4'-piperidine]?
The IUPAC name of 6-butoxyspiro[chromene-2,4'-piperidine] (CID 82045814) is 6-butoxyspiro[chromene-2,4'-piperidine].
What is the SMILES notation for 6-butoxyspiro[chromene-2,4'-piperidine]?
The canonical SMILES for 6-butoxyspiro[chromene-2,4'-piperidine] is CCCCOc1ccc2c(c1)C=CC1(CCNCC1)O2.
What is the InChIKey of 6-butoxyspiro[chromene-2,4'-piperidine]?
The InChIKey is HDAOSDRWTGSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-12-19-15-4-5-16-14(13-15)6-7-17(20-16)8-10-18-11-9-17/h4-7,13,18H,2-3,8-12H2,1H3.
What are the key properties of 6-butoxyspiro[chromene-2,4'-piperidine]?
6-butoxyspiro[chromene-2,4'-piperidine] has a molecular weight of 273.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxyspiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 82045814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).