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

C16H22ClNO2 — CID 104949110

IUPAC(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCCN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO2/c1-2-7-18-8-5-16(6-9-18)11-14(19)13-10-12(17)3-4-15(13)20-16/h3-4,10,14,19H,2,5-9,11H2,1H3/t14-/m1/s1
InChIKeyYMSSVHZCSNMILW-CQSZACIVSA-N
MW295.81 g/mol
LogP3.40
Rot. Bonds2

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

(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 104949110) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID104949110
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCCN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO2/c1-2-7-18-8-5-16(6-9-18)11-14(19)13-10-12(17)3-4-15(13)20-16/h3-4,10,14,19H,2,5-9,11H2,1H3/t14-/m1/s1
InChIKeyYMSSVHZCSNMILW-CQSZACIVSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 104949110) is (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is CCCN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2.
What is the InChIKey of (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is YMSSVHZCSNMILW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-7-18-8-5-16(6-9-18)11-14(19)13-10-12(17)3-4-15(13)20-16/h3-4,10,14,19H,2,5-9,11H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 295.81 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 104949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).