4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

C105H125Cl2FN6O7 — CID 173143700

IUPAC4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.CCOC(=O)C1(c2ccccc2)CCN(C)CC1.CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CNCCC=C1c2ccccc2CCc2ccccc21.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C29H33ClN2O2.C21H23ClFNO2.C21H27NO.C19H21N.C15H21NO2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h3-16,34H,17-22H2,1-2H3;3-10,26H,1-2,11-15H2;6-15,17H,5,16H2,1-4H3;2-5,7-11,20H,6,12-14H2,1H3;4-8H,3,9-12H2,1-2H3
InChIKeyWRRLKGOIZINVRW-UHFFFAOYSA-N
MW1673.09 g/mol
LogP19.85
Rot. Bonds26

About 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine (PubChem CID 173143700) has the molecular formula C105H125Cl2FN6O7 and a molecular weight of 1673.09 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
PubChem CID173143700
Molecular FormulaC105H125Cl2FN6O7
Molecular Weight1673.09 g/mol
Exact Mass1670.90
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.CCOC(=O)C1(c2ccccc2)CCN(C)CC1.CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CNCCC=C1c2ccccc2CCc2ccccc21.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C29H33ClN2O2.C21H23ClFNO2.C21H27NO.C19H21N.C15H21NO2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h3-16,34H,17-22H2,1-2H3;3-10,26H,1-2,11-15H2;6-15,17H,5,16H2,1-4H3;2-5,7-11,20H,6,12-14H2,1H3;4-8H,3,9-12H2,1-2H3
InChIKeyWRRLKGOIZINVRW-UHFFFAOYSA-N
XLogP19.85
TPSA146.20 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001673.09
LogP ≤ 519.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine with MolForge

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Related Compounds

ethyl 4-(4-chlorophenyl)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidine-4-carboxylate
CID 50852557
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
2-aminoethanesulfonic acid;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 87775867
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 87246802
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine;1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 87947316
ethyl (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 56848200
4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylpentanamide
CID 54388283
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
4-[4-hydroxy-4-[4-(iodomethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 89357629
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine (CID 173143700) is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine is CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.CCOC(=O)C1(c2ccccc2)CCN(C)CC1.CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CNCCC=C1c2ccccc2CCc2ccccc21.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The InChIKey is WRRLKGOIZINVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O2.C21H23ClFNO2.C21H27NO.C19H21N.C15H21NO2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h3-16,34H,17-22H2,1-2H3;3-10,26H,1-2,11-15H2;6-15,17H,5,16H2,1-4H3;2-5,7-11,20H,6,12-14H2,1H3;4-8H,3,9-12H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine has a molecular weight of 1673.09 g/mol, XLogP of 19.85, 26 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;6-(dimethylamino)-4,4-diphenylheptan-3-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine is sourced from PubChem (CID 173143700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).