bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)

C94H190F8N10 — CID 164982093

IUPACbis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
SMILESCC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/4C11H21F2N.2C11H23N.C10H22N2.2C9H19N/c2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-10(6-9)8(3)4/h4*8-10H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3
InChIKeyFQGPZEMQCAZYPJ-UHFFFAOYSA-N
MW1612.61 g/mol
LogP23.64
Rot. Bonds18

About bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)

bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) (PubChem CID 164982093) has the molecular formula C94H190F8N10 and a molecular weight of 1612.61 g/mol. Its IUPAC name is bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine).

Molecular Properties

Compound Namebis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
PubChem CID164982093
Molecular FormulaC94H190F8N10
Molecular Weight1612.61 g/mol
Exact Mass1611.50
IUPAC Namebis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
SMILESCC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/4C11H21F2N.2C11H23N.C10H22N2.2C9H19N/c2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-10(6-9)8(3)4/h4*8-10H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3
InChIKeyFQGPZEMQCAZYPJ-UHFFFAOYSA-N
XLogP23.64
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.61
LogP ≤ 523.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
The IUPAC name of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) (CID 164982093) is bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine).
What is the SMILES notation for bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
The canonical SMILES for bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) is CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
The InChIKey is FQGPZEMQCAZYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H21F2N.2C11H23N.C10H22N2.2C9H19N/c2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-10(6-9)8(3)4/h4*8-10H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3.
What are the key properties of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) has a molecular weight of 1612.61 g/mol, XLogP of 23.64, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) is sourced from PubChem (CID 164982093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).