4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide

C78H117ClF2N8O3 — CID 160669937

IUPAC4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(C2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NC(=O)N2CCN(C)CC2)c(F)c1.COc1cc(C2CCN(C)CC2)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O.C16H25NO.C15H22ClN.C15H22FN3O.C15H22FN/c1-12(2)14-5-6-16(13(3)11-14)17(20)18-15-7-9-19(4)10-8-15;1-12(2)15-6-5-14(11-16(15)18-4)13-7-9-17(3)10-8-13;1-11(2)13-4-5-14(15(16)10-13)12-6-8-17(3)9-7-12;1-11(2)12-4-5-14(13(16)10-12)17-15(20)19-8-6-18(3)7-9-19;1-11(2)13-4-5-14(15(16)10-13)12-6-8-17(3)9-7-12/h5-6,11-12,15H,7-10H2,1-4H3,(H,18,20);5-6,11-13H,7-10H2,1-4H3;4-5,10-12H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3,(H,17,20);4-5,10-12H,6-9H2,1-3H3
InChIKeyRMUIAGUKXOIXKU-UHFFFAOYSA-N
MW1288.30 g/mol
LogP17.33
Rot. Bonds12

About 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide

4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide (PubChem CID 160669937) has the molecular formula C78H117ClF2N8O3 and a molecular weight of 1288.30 g/mol. Its IUPAC name is 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide
PubChem CID160669937
Molecular FormulaC78H117ClF2N8O3
Molecular Weight1288.30 g/mol
Exact Mass1286.89
IUPAC Name4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(C2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NC(=O)N2CCN(C)CC2)c(F)c1.COc1cc(C2CCN(C)CC2)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O.C16H25NO.C15H22ClN.C15H22FN3O.C15H22FN/c1-12(2)14-5-6-16(13(3)11-14)17(20)18-15-7-9-19(4)10-8-15;1-12(2)15-6-5-14(11-16(15)18-4)13-7-9-17(3)10-8-13;1-11(2)13-4-5-14(15(16)10-13)12-6-8-17(3)9-7-12;1-11(2)12-4-5-14(13(16)10-12)17-15(20)19-8-6-18(3)7-9-19;1-11(2)13-4-5-14(15(16)10-13)12-6-8-17(3)9-7-12/h5-6,11-12,15H,7-10H2,1-4H3,(H,18,20);5-6,11-13H,7-10H2,1-4H3;4-5,10-12H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3,(H,17,20);4-5,10-12H,6-9H2,1-3H3
InChIKeyRMUIAGUKXOIXKU-UHFFFAOYSA-N
XLogP17.33
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001288.30
LogP ≤ 517.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-[(2R)-4-[2-chloro-4-(trifluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-5-(2-methoxyphenyl)benzamide
CID 146361374
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 157329775
3-[4-[4-[2-[4-[[2-Chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 157810848
2-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-methylbenzamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-fluoro-5-methylbenzamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(trifluoromethoxy)benzamide
CID 160875081
3-[4-[4-[2-[1-[[2-Chloro-6-methoxy-4-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 163543297
N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 163824578
3-[4-[4-[1-[[2-Chloro-6-methoxy-4-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 163862028
4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide
CID 164719688
3-[4-[4-[2-[4-[[2-Chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164719723
3-[4-[1-[2-[1-[[2-Chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164719776
3-[4-[1-[1-[[2-Chloro-6-methoxy-4-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 164719790
N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide
CID 164719807

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide?
The IUPAC name of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide (CID 160669937) is 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(C2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NC(=O)N2CCN(C)CC2)c(F)c1.COc1cc(C2CCN(C)CC2)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(=O)NC1CCN(C)CC1.
What is the InChIKey of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide?
The InChIKey is RMUIAGUKXOIXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C16H25NO.C15H22ClN.C15H22FN3O.C15H22FN/c1-12(2)14-5-6-16(13(3)11-14)17(20)18-15-7-9-19(4)10-8-15;1-12(2)15-6-5-14(11-16(15)18-4)13-7-9-17(3)10-8-13;1-11(2)13-4-5-14(15(16)10-13)12-6-8-17(3)9-7-12;1-11(2)12-4-5-14(13(16)10-12)17-15(20)19-8-6-18(3)7-9-19;1-11(2)13-4-5-14(15(16)10-13)12-6-8-17(3)9-7-12/h5-6,11-12,15H,7-10H2,1-4H3,(H,18,20);5-6,11-13H,7-10H2,1-4H3;4-5,10-12H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3,(H,17,20);4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide?
4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide has a molecular weight of 1288.30 g/mol, XLogP of 17.33, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 160669937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).