(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C16H22ClNO2 — CID 104949194

IUPAC(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCC(C)N1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO2/c1-11(2)18-7-5-16(6-8-18)10-14(19)13-9-12(17)3-4-15(13)20-16/h3-4,9,11,14,19H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyCAEXCCHXFUKRKG-CQSZACIVSA-N
MW295.81 g/mol
LogP3.40
Rot. Bonds1

About (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 104949194) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID104949194
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCC(C)N1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO2/c1-11(2)18-7-5-16(6-8-18)10-14(19)13-9-12(17)3-4-15(13)20-16/h3-4,9,11,14,19H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyCAEXCCHXFUKRKG-CQSZACIVSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992
(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948042
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4S)-7-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949647
(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948996
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
6-chloro-1'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46966086

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 104949194) is (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is CC(C)N1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2.
What is the InChIKey of (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is CAEXCCHXFUKRKG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)18-7-5-16(6-8-18)10-14(19)13-9-12(17)3-4-15(13)20-16/h3-4,9,11,14,19H,5-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 295.81 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 104949194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).