(3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride

C58H81ClN2O11 — CID 157461389

About (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride

(3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride (PubChem CID 157461389) has the molecular formula C58H81ClN2O11 and a molecular weight of 1017.74 g/mol. Its IUPAC name is (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride
• PubChem CID: 157461389
• Molecular Formula: C58H81ClN2O11
• Molecular Weight: 1017.74 g/mol
• Exact Mass: 1016.55
• IUPAC Name: (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride
• SMILES: CC(C)O.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(O)C3(C)C)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(OC(C)C)C3(C)C)ccc1OC(C)C.Cl
• InChI: InChI=1S/C29H39NO5.C26H33NO5.C3H8O.ClH/c1-19(2)33-24-13-12-21(18-25(24)32-7)27(31)30-16-14-29(15-17-30)28(5,6)26(34-20(3)4)22-10-8-9-11-23(22)35-29;1-17(2)31-21-11-10-18(16-22(21)30-5)24(29)27-14-12-26(13-15-27)25(3,4)23(28)19-8-6-7-9-20(19)32-26;1-3(2)4;/h8-13,18-20,26H,14-17H2,1-7H3;6-11,16-17,23,28H,12-15H2,1-5H3;3-4H,1-2H3;1H
• InChIKey: JFLJLYOFGFAIGF-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 145.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.74
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride?

The IUPAC name of (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride (CID 157461389) is (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride.

What is the SMILES notation for (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride?

The canonical SMILES for (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride is CC(C)O.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(O)C3(C)C)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(OC(C)C)C3(C)C)ccc1OC(C)C.Cl.

What is the InChIKey of (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride?

The InChIKey is JFLJLYOFGFAIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO5.C26H33NO5.C3H8O.ClH/c1-19(2)33-24-13-12-21(18-25(24)32-7)27(31)30-16-14-29(15-17-30)28(5,6)26(34-20(3)4)22-10-8-9-11-23(22)35-29;1-17(2)31-21-11-10-18(16-22(21)30-5)24(29)27-14-12-26(13-15-27)25(3,4)23(28)19-8-6-7-9-20(19)32-26;1-3(2)4;/h8-13,18-20,26H,14-17H2,1-7H3;6-11,16-17,23,28H,12-15H2,1-5H3;3-4H,1-2H3;1H.

What are the key properties of (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride?

(3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride has a molecular weight of 1017.74 g/mol, XLogP of 11.46, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride is sourced from PubChem (CID 157461389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).