bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

C111H215F9N16 — CID 164989090

IUPACbis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CN1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)CN1CCN(CCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/2C18H37N3.4C15H28F2N2.C15H29FN2/c1-16(2)15-20-13-11-19(12-14-20)8-5-18-6-9-21(10-7-18)17(3)4;1-16(2)15-20-9-6-18(7-10-20)5-8-19-11-13-21(14-12-19)17(3)4;2*1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4/h2*16-18H,5-15H2,1-4H3;4*11-14H,5-10H2,1-4H3;12-14H,5-11H2,1-4H3
InChIKeyGPFKAYDWHHZRJC-UHFFFAOYSA-N
MW1945.03 g/mol
LogP20.80
Rot. Bonds32

About bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (PubChem CID 164989090) has the molecular formula C111H215F9N16 and a molecular weight of 1945.03 g/mol. Its IUPAC name is bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Namebis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
PubChem CID164989090
Molecular FormulaC111H215F9N16
Molecular Weight1945.03 g/mol
Exact Mass1943.72
IUPAC Namebis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CN1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)CN1CCN(CCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/2C18H37N3.4C15H28F2N2.C15H29FN2/c1-16(2)15-20-13-11-19(12-14-20)8-5-18-6-9-21(10-7-18)17(3)4;1-16(2)15-20-9-6-18(7-10-20)5-8-19-11-13-21(14-12-19)17(3)4;2*1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4/h2*16-18H,5-15H2,1-4H3;4*11-14H,5-10H2,1-4H3;12-14H,5-11H2,1-4H3
InChIKeyGPFKAYDWHHZRJC-UHFFFAOYSA-N
XLogP20.80
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001945.03
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (CID 164989090) is bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CN1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)CN1CCN(CCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is GPFKAYDWHHZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H37N3.4C15H28F2N2.C15H29FN2/c1-16(2)15-20-13-11-19(12-14-20)8-5-18-6-9-21(10-7-18)17(3)4;1-16(2)15-20-9-6-18(7-10-20)5-8-19-11-13-21(14-12-19)17(3)4;2*1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4/h2*16-18H,5-15H2,1-4H3;4*11-14H,5-10H2,1-4H3;12-14H,5-11H2,1-4H3.
What are the key properties of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 1945.03 g/mol, XLogP of 20.80, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 164989090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).