2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane

C57H83Cl2N3O2 — CID 158302295

IUPAC2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane
SMILESC.C=C(C)CC1(CCCc2ccc(Cl)cc2)CCN(Cc2ccc(OC)cc2)CC1.CC(C)(C)C.COc1ccc(CN2CCC3(CC2)CN(Cc2ccc(Cl)cc2)C(C)(C)C3)cc1
InChIInChI=1S/C26H34ClNO.C25H33ClN2O.C5H12.CH4/c1-21(2)19-26(14-4-5-22-6-10-24(27)11-7-22)15-17-28(18-16-26)20-23-8-12-25(29-3)13-9-23;1-24(2)18-25(19-28(24)17-21-4-8-22(26)9-5-21)12-14-27(15-13-25)16-20-6-10-23(29-3)11-7-20;1-5(2,3)4;/h6-13H,1,4-5,14-20H2,2-3H3;4-11H,12-19H2,1-3H3;1-4H3;1H4
InChIKeyGMQIEEIBLKWEFO-UHFFFAOYSA-N
MW913.22 g/mol
LogP15.22
Rot. Bonds14

About 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane

2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane (PubChem CID 158302295) has the molecular formula C57H83Cl2N3O2 and a molecular weight of 913.22 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane
PubChem CID158302295
Molecular FormulaC57H83Cl2N3O2
Molecular Weight913.22 g/mol
Exact Mass911.59
IUPAC Name2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane
SMILESC.C=C(C)CC1(CCCc2ccc(Cl)cc2)CCN(Cc2ccc(OC)cc2)CC1.CC(C)(C)C.COc1ccc(CN2CCC3(CC2)CN(Cc2ccc(Cl)cc2)C(C)(C)C3)cc1
InChIInChI=1S/C26H34ClNO.C25H33ClN2O.C5H12.CH4/c1-21(2)19-26(14-4-5-22-6-10-24(27)11-7-22)15-17-28(18-16-26)20-23-8-12-25(29-3)13-9-23;1-24(2)18-25(19-28(24)17-21-4-8-22(26)9-5-21)12-14-27(15-13-25)16-20-6-10-23(29-3)11-7-20;1-5(2,3)4;/h6-13H,1,4-5,14-20H2,2-3H3;4-11H,12-19H2,1-3H3;1-4H3;1H4
InChIKeyGMQIEEIBLKWEFO-UHFFFAOYSA-N
XLogP15.22
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.22
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane (CID 158302295) is 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane is C.C=C(C)CC1(CCCc2ccc(Cl)cc2)CCN(Cc2ccc(OC)cc2)CC1.CC(C)(C)C.COc1ccc(CN2CCC3(CC2)CN(Cc2ccc(Cl)cc2)C(C)(C)C3)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane?
The InChIKey is GMQIEEIBLKWEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClNO.C25H33ClN2O.C5H12.CH4/c1-21(2)19-26(14-4-5-22-6-10-24(27)11-7-22)15-17-28(18-16-26)20-23-8-12-25(29-3)13-9-23;1-24(2)18-25(19-28(24)17-21-4-8-22(26)9-5-21)12-14-27(15-13-25)16-20-6-10-23(29-3)11-7-20;1-5(2,3)4;/h6-13H,1,4-5,14-20H2,2-3H3;4-11H,12-19H2,1-3H3;1-4H3;1H4.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane?
2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane has a molecular weight of 913.22 g/mol, XLogP of 15.22, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;4-[3-(4-chlorophenyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-(2-methylprop-2-enyl)piperidine;2,2-dimethylpropane;methane is sourced from PubChem (CID 158302295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).