1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol

C145H299F4N17O3 — CID 158548257

About 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol

1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol (PubChem CID 158548257) has the molecular formula C145H299F4N17O3 and a molecular weight of 2405.09 g/mol. Its IUPAC name is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol.

Molecular Properties

• Compound Name: 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol
• PubChem CID: 158548257
• Molecular Formula: C145H299F4N17O3
• Molecular Weight: 2405.09 g/mol
• Exact Mass: 2403.37
• IUPAC Name: 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol
• SMILES: CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1(O)CN(C(C)(C)C)C1.CC1CCCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1
• InChI: InChI=1S/C10H21N.C9H17F2N.C9H19NO.C9H17NO.4C9H19N.C8H15F2N.C8H17NO.6C8H17N.C8H15N/c1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;2*1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)9-5-8(4,10)6-9;5*1-7-5-9(6-7)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9/h9H,5-8H2,1-4H3;4-7H2,1-3H3;8,11H,4-7H2,1-3H3;4-7H2,1-3H3;2*8H,5-7H2,1-4H3;2*4-8H2,1-3H3;4-6H2,1-3H3;10H,5-6H2,1-4H3;5*7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3
• InChIKey: HPJYWFBXCCWTTB-UHFFFAOYSA-N
• XLogP: 31.72
• TPSA: 112.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 1
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2405.09
LogP ≤ 5	31.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol?

The IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol (CID 158548257) is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol.

What is the SMILES notation for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol?

The canonical SMILES for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol is CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1(O)CN(C(C)(C)C)C1.CC1CCCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.

What is the InChIKey of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol?

The InChIKey is HPJYWFBXCCWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H17F2N.C9H19NO.C9H17NO.4C9H19N.C8H15F2N.C8H17NO.6C8H17N.C8H15N/c1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;2*1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)9-5-8(4,10)6-9;5*1-7-5-9(6-7)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9/h9H,5-8H2,1-4H3;4-7H2,1-3H3;8,11H,4-7H2,1-3H3;4-7H2,1-3H3;2*8H,5-7H2,1-4H3;2*4-8H2,1-3H3;4-6H2,1-3H3;10H,5-6H2,1-4H3;5*7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3.

What are the key properties of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol?

1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol has a molecular weight of 2405.09 g/mol, XLogP of 31.72, 1 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 158548257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).