(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C17H25NO3 — CID 104950732

IUPAC(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCCN1CCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2
InChIInChI=1S/C17H25NO3/c1-3-8-18-9-6-17(7-10-18)12-15(19)14-11-13(20-2)4-5-16(14)21-17/h4-5,11,15,19H,3,6-10,12H2,1-2H3/t15-/m0/s1
InChIKeyIDBUNYSKWUWGOT-HNNXBMFYSA-N
MW291.39 g/mol
LogP2.76
Rot. Bonds3

About (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 104950732) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID104950732
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCCN1CCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2
InChIInChI=1S/C17H25NO3/c1-3-8-18-9-6-17(7-10-18)12-15(19)14-11-13(20-2)4-5-16(14)21-17/h4-5,11,15,19H,3,6-10,12H2,1-2H3/t15-/m0/s1
InChIKeyIDBUNYSKWUWGOT-HNNXBMFYSA-N
XLogP2.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol with MolForge

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Related Compounds

6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800
4-[2-[(4S)-4-hydroxy-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethyl]benzonitrile;hydrochloride
CID 67695837
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948996
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948786
(4S)-1'-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92552683
(4R)-7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949332
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 104950732) is (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is CCCN1CCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2.
What is the InChIKey of (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is IDBUNYSKWUWGOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-8-18-9-6-17(7-10-18)12-15(19)14-11-13(20-2)4-5-16(14)21-17/h4-5,11,15,19H,3,6-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 291.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 104950732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).