bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine

C120H228F12N16 — CID 165044151

IUPACbis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.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
InChIInChI=1S/5C15H28F2N2.2C15H29FN2.C15H30N2/c2*1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;3*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;2*1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4;1-12(2)9-14-5-7-16(8-6-14)15-10-17(11-15)13(3)4/h5*11-14H,5-10H2,1-4H3;2*12-14H,5-11H2,1-4H3;12-15H,5-11H2,1-4H3
InChIKeyOPSHAFMUAFBWCT-UHFFFAOYSA-N
MW2123.23 g/mol
LogP24.11
Rot. Bonds32

About bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine

bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine (PubChem CID 165044151) has the molecular formula C120H228F12N16 and a molecular weight of 2123.23 g/mol. Its IUPAC name is bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine.

Molecular Properties

Compound Namebis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine
PubChem CID165044151
Molecular FormulaC120H228F12N16
Molecular Weight2123.23 g/mol
Exact Mass2121.81
IUPAC Namebis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.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
InChIInChI=1S/5C15H28F2N2.2C15H29FN2.C15H30N2/c2*1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;3*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;2*1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4;1-12(2)9-14-5-7-16(8-6-14)15-10-17(11-15)13(3)4/h5*11-14H,5-10H2,1-4H3;2*12-14H,5-11H2,1-4H3;12-15H,5-11H2,1-4H3
InChIKeyOPSHAFMUAFBWCT-UHFFFAOYSA-N
XLogP24.11
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002123.23
LogP ≤ 524.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine?
The IUPAC name of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine (CID 165044151) is bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine.
What is the SMILES notation for bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine?
The canonical SMILES for bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine is CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.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.
What is the InChIKey of bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine?
The InChIKey is OPSHAFMUAFBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H28F2N2.2C15H29FN2.C15H30N2/c2*1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;3*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;2*1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4;1-12(2)9-14-5-7-16(8-6-14)15-10-17(11-15)13(3)4/h5*11-14H,5-10H2,1-4H3;2*12-14H,5-11H2,1-4H3;12-15H,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);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine?
bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine has a molecular weight of 2123.23 g/mol, XLogP of 24.11, 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);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine is sourced from PubChem (CID 165044151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).