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

C98H198F8N10 — CID 164947690

About bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine) (PubChem CID 164947690) has the molecular formula C98H198F8N10 and a molecular weight of 1668.72 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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine).

Molecular Properties

• Compound Name: bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
• PubChem CID: 164947690
• Molecular Formula: C98H198F8N10
• Molecular Weight: 1668.72 g/mol
• Exact Mass: 1667.57
• IUPAC Name: bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
• SMILES: CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.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)N1CCN(C(C)C)CC1
• InChI: InChI=1S/4C11H21F2N.4C11H23N.C10H22N2/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;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h4*8-10H,5-7H2,1-4H3;4*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
• InChIKey: ACKDCHOGPXPZPV-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1668.72
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine) (CID 164947690) is bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine) is CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.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)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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)?

The InChIKey is ACKDCHOGPXPZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H21F2N.4C11H23N.C10H22N2/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;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h4*8-10H,5-7H2,1-4H3;4*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.

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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine) has a molecular weight of 1668.72 g/mol, XLogP of 25.34, 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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine) is sourced from PubChem (CID 164947690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).