1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine

C94H124Cl2N4O4 — CID 167617582

IUPAC1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine
SMILESCC(C)(CC(c1ccccc1)N1CCC(C2CCOCC2)CC1)c1ccc(Cl)cc1.CC(C)(CC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1.COc1ccc(C(C)(C)CC(c2ccccc2)N2CCCCC2)cc1.COc1ccc(C(C)(C)CC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C27H36ClNO.C23H31NO.C22H28ClN.C22H29NO2/c1-27(2,24-8-10-25(28)11-9-24)20-26(23-6-4-3-5-7-23)29-16-12-21(13-17-29)22-14-18-30-19-15-22;1-23(2,20-12-14-21(25-3)15-13-20)18-22(19-10-6-4-7-11-19)24-16-8-5-9-17-24;1-22(2,19-11-13-20(23)14-12-19)17-21(18-9-5-3-6-10-18)24-15-7-4-8-16-24;1-22(2,19-9-11-20(24-3)12-10-19)17-21(18-7-5-4-6-8-18)23-13-15-25-16-14-23/h3-11,21-22,26H,12-20H2,1-2H3;4,6-7,10-15,22H,5,8-9,16-18H2,1-3H3;3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3;4-12,21H,13-17H2,1-3H3
InChIKeyLYVGYGXQFPPFPB-UHFFFAOYSA-N
MW1444.96 g/mol
LogP23.15
Rot. Bonds23

About 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine

1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine (PubChem CID 167617582) has the molecular formula C94H124Cl2N4O4 and a molecular weight of 1444.96 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine
PubChem CID167617582
Molecular FormulaC94H124Cl2N4O4
Molecular Weight1444.96 g/mol
Exact Mass1442.90
IUPAC Name1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine
SMILESCC(C)(CC(c1ccccc1)N1CCC(C2CCOCC2)CC1)c1ccc(Cl)cc1.CC(C)(CC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1.COc1ccc(C(C)(C)CC(c2ccccc2)N2CCCCC2)cc1.COc1ccc(C(C)(C)CC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C27H36ClNO.C23H31NO.C22H28ClN.C22H29NO2/c1-27(2,24-8-10-25(28)11-9-24)20-26(23-6-4-3-5-7-23)29-16-12-21(13-17-29)22-14-18-30-19-15-22;1-23(2,20-12-14-21(25-3)15-13-20)18-22(19-10-6-4-7-11-19)24-16-8-5-9-17-24;1-22(2,19-11-13-20(23)14-12-19)17-21(18-9-5-3-6-10-18)24-15-7-4-8-16-24;1-22(2,19-9-11-20(24-3)12-10-19)17-21(18-7-5-4-6-8-18)23-13-15-25-16-14-23/h3-11,21-22,26H,12-20H2,1-2H3;4,6-7,10-15,22H,5,8-9,16-18H2,1-3H3;3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3;4-12,21H,13-17H2,1-3H3
InChIKeyLYVGYGXQFPPFPB-UHFFFAOYSA-N
XLogP23.15
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001444.96
LogP ≤ 523.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine with MolForge

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Related Compounds

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine
CID 142475199
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
1-[3-(4-chlorophenyl)-3-methylbutyl]-4-(oxan-4-yl)piperidine
CID 142475420
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434
1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788342
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 98404336
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine (CID 167617582) is 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine is CC(C)(CC(c1ccccc1)N1CCC(C2CCOCC2)CC1)c1ccc(Cl)cc1.CC(C)(CC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1.COc1ccc(C(C)(C)CC(c2ccccc2)N2CCCCC2)cc1.COc1ccc(C(C)(C)CC(c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine?
The InChIKey is LYVGYGXQFPPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClNO.C23H31NO.C22H28ClN.C22H29NO2/c1-27(2,24-8-10-25(28)11-9-24)20-26(23-6-4-3-5-7-23)29-16-12-21(13-17-29)22-14-18-30-19-15-22;1-23(2,20-12-14-21(25-3)15-13-20)18-22(19-10-6-4-7-11-19)24-16-8-5-9-17-24;1-22(2,19-11-13-20(23)14-12-19)17-21(18-9-5-3-6-10-18)24-15-7-4-8-16-24;1-22(2,19-9-11-20(24-3)12-10-19)17-21(18-7-5-4-6-8-18)23-13-15-25-16-14-23/h3-11,21-22,26H,12-20H2,1-2H3;4,6-7,10-15,22H,5,8-9,16-18H2,1-3H3;3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3;4-12,21H,13-17H2,1-3H3.
What are the key properties of 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine?
1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine has a molecular weight of 1444.96 g/mol, XLogP of 23.15, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]-4-(oxan-4-yl)piperidine;1-[3-(4-chlorophenyl)-3-methyl-1-phenylbutyl]piperidine;4-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]morpholine;1-[3-(4-methoxyphenyl)-3-methyl-1-phenylbutyl]piperidine is sourced from PubChem (CID 167617582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).