(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C15H22N2O2 — CID 96653094

IUPAC(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCOc1ccc2c(c1)OC1(CCN(C)CC1)C[C@@H]2N
InChIInChI=1S/C15H22N2O2/c1-17-7-5-15(6-8-17)10-13(16)12-4-3-11(18-2)9-14(12)19-15/h3-4,9,13H,5-8,10,16H2,1-2H3/t13-/m0/s1
InChIKeyJBBKQLXLIZACLX-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds1

About (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 96653094) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID96653094
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCOc1ccc2c(c1)OC1(CCN(C)CC1)C[C@@H]2N
InChIInChI=1S/C15H22N2O2/c1-17-7-5-15(6-8-17)10-13(16)12-4-3-11(18-2)9-14(12)19-15/h3-4,9,13H,5-8,10,16H2,1-2H3/t13-/m0/s1
InChIKeyJBBKQLXLIZACLX-ZDUSSCGKSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710834
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114710926
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 96653094) is (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is COc1ccc2c(c1)OC1(CCN(C)CC1)C[C@@H]2N.
What is the InChIKey of (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is JBBKQLXLIZACLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-7-5-15(6-8-17)10-13(16)12-4-3-11(18-2)9-14(12)19-15/h3-4,9,13H,5-8,10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 262.35 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 96653094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).