6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol

C130H154BrF6N13O8 — CID 158221473

IUPAC6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol
SMILESFc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCC1OCCO1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C1CCN(CCc2ccccc2F)CC1.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1
InChIInChI=1S/C27H32FN3O3.C25H30FN3O2.C22H27FN2O.C22H25FN2O.C21H24BrFN2.C13H16FNO/c28-23-5-2-20(3-6-23)7-11-30-12-9-24(10-13-30)31-14-8-22-4-1-21(17-25(22)31)18-26(32)29-19-27-33-15-16-34-27;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-25(31)27-11-16-30;2*23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25;22-18-6-5-17-8-14-25(21(17)15-18)19-9-12-24(13-10-19)11-7-16-3-1-2-4-20(16)23;14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15/h1-6,8,14,17,24,27H,7,9-13,15-16,18-19H2,(H,29,32);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);1-6,15,20,26H,7-14,16H2;1-6,8,14-15,20,26H,7,9-13,16H2;1-6,15,19H,7-14H2;1-4H,5-10H2
InChIKeyGDHHPRGWRIRUIE-UHFFFAOYSA-N
MW2220.64 g/mol
LogP21.23
Rot. Bonds33

About 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol

6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol (PubChem CID 158221473) has the molecular formula C130H154BrF6N13O8 and a molecular weight of 2220.64 g/mol. Its IUPAC name is 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol.

Molecular Properties

Compound Name6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol
PubChem CID158221473
Molecular FormulaC130H154BrF6N13O8
Molecular Weight2220.64 g/mol
Exact Mass2218.11
IUPAC Name6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol
SMILESFc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCC1OCCO1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C1CCN(CCc2ccccc2F)CC1.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1
InChIInChI=1S/C27H32FN3O3.C25H30FN3O2.C22H27FN2O.C22H25FN2O.C21H24BrFN2.C13H16FNO/c28-23-5-2-20(3-6-23)7-11-30-12-9-24(10-13-30)31-14-8-22-4-1-21(17-25(22)31)18-26(32)29-19-27-33-15-16-34-27;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-25(31)27-11-16-30;2*23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25;22-18-6-5-17-8-14-25(21(17)15-18)19-9-12-24(13-10-19)11-7-16-3-1-2-4-20(16)23;14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15/h1-6,8,14,17,24,27H,7,9-13,15-16,18-19H2,(H,29,32);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);1-6,15,20,26H,7-14,16H2;1-6,8,14-15,20,26H,7,9-13,16H2;1-6,15,19H,7-14H2;1-4H,5-10H2
InChIKeyGDHHPRGWRIRUIE-UHFFFAOYSA-N
XLogP21.23
TPSA195.13 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.64
LogP ≤ 521.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol with MolForge

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Related Compounds

N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid
CID 158401215
N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid
CID 158849702
6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-6-carbaldehyde;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanamine
CID 162051981
6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;oxalic acid
CID 162178733

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol?
The IUPAC name of 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol (CID 158221473) is 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol.
What is the SMILES notation for 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol?
The canonical SMILES for 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol is Fc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCC1OCCO1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C1CCN(CCc2ccccc2F)CC1.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.
What is the InChIKey of 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol?
The InChIKey is GDHHPRGWRIRUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3.C25H30FN3O2.C22H27FN2O.C22H25FN2O.C21H24BrFN2.C13H16FNO/c28-23-5-2-20(3-6-23)7-11-30-12-9-24(10-13-30)31-14-8-22-4-1-21(17-25(22)31)18-26(32)29-19-27-33-15-16-34-27;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-25(31)27-11-16-30;2*23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25;22-18-6-5-17-8-14-25(21(17)15-18)19-9-12-24(13-10-19)11-7-16-3-1-2-4-20(16)23;14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15/h1-6,8,14,17,24,27H,7,9-13,15-16,18-19H2,(H,29,32);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);1-6,15,20,26H,7-14,16H2;1-6,8,14-15,20,26H,7,9-13,16H2;1-6,15,19H,7-14H2;1-4H,5-10H2.
What are the key properties of 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol?
6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol has a molecular weight of 2220.64 g/mol, XLogP of 21.23, 33 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol is sourced from PubChem (CID 158221473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).