(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C16H23NO3 — CID 104948800

IUPAC(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCN1CCC2(CC1)C[C@H](O)c1ccc(OC)cc1O2
InChIInChI=1S/C16H23NO3/c1-3-17-8-6-16(7-9-17)11-14(18)13-5-4-12(19-2)10-15(13)20-16/h4-5,10,14,18H,3,6-9,11H2,1-2H3/t14-/m0/s1
InChIKeyBOHGJQNQJVNBLH-AWEZNQCLSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds2

About (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 104948800) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID104948800
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCN1CCC2(CC1)C[C@H](O)c1ccc(OC)cc1O2
InChIInChI=1S/C16H23NO3/c1-3-17-8-6-16(7-9-17)11-14(18)13-5-4-12(19-2)10-15(13)20-16/h4-5,10,14,18H,3,6-9,11H2,1-2H3/t14-/m0/s1
InChIKeyBOHGJQNQJVNBLH-AWEZNQCLSA-N
XLogP2.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948786
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4R)-1'-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503554
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4S)-1'-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92552685
1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955215
(4R)-7-methoxy-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104948592
(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948654
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
N-[4-[(1R)-1-hydroxy-2-[(4R)-4-hydroxy-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]propanamide
CID 92585590
(4S)-1'-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503842

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 104948800) is (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is CCN1CCC2(CC1)C[C@H](O)c1ccc(OC)cc1O2.
What is the InChIKey of (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is BOHGJQNQJVNBLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17-8-6-16(7-9-17)11-14(18)13-5-4-12(19-2)10-15(13)20-16/h4-5,10,14,18H,3,6-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 277.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 104948800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).