(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C14H20N2O2 — CID 104946767

IUPAC(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCNCC1)O2
InChIInChI=1S/C14H20N2O2/c1-17-10-2-3-13-11(8-10)12(15)9-14(18-13)4-6-16-7-5-14/h2-3,8,12,16H,4-7,9,15H2,1H3/t12-/m0/s1
InChIKeyLQFRODLJOPJTOC-LBPRGKRZSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds1

About (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 104946767) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID104946767
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCNCC1)O2
InChIInChI=1S/C14H20N2O2/c1-17-10-2-3-13-11(8-10)12(15)9-14(18-13)4-6-16-7-5-14/h2-3,8,12,16H,4-7,9,15H2,1H3/t12-/m0/s1
InChIKeyLQFRODLJOPJTOC-LBPRGKRZSA-N
XLogP1.60
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114709895
(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946851
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 104946767) is (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is COc1ccc2c(c1)[C@@H](N)CC1(CCNCC1)O2.
What is the InChIKey of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is LQFRODLJOPJTOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-10-2-3-13-11(8-10)12(15)9-14(18-13)4-6-16-7-5-14/h2-3,8,12,16H,4-7,9,15H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 104946767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).