1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine

C36H73F2N3 — CID 144929218

IUPAC1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)(C)C)CC1.CC(C)C1CCN(CC(C)(C)C)CC1.CC(C)C1CCN(CC(C)(F)F)CC1
InChIInChI=1S/C13H27N.C12H25N.C11H21F2N/c1-11(2)12-6-8-14(9-7-12)10-13(3,4)5;1-10(2)11-6-8-13(9-7-11)12(3,4)5;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13/h11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3;9-10H,4-8H2,1-3H3
InChIKeyCZPRIJQIIKXUIX-UHFFFAOYSA-N
MW586.00 g/mol
LogP9.56
Rot. Bonds6

About 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine

1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine (PubChem CID 144929218) has the molecular formula C36H73F2N3 and a molecular weight of 586.00 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
PubChem CID144929218
Molecular FormulaC36H73F2N3
Molecular Weight586.00 g/mol
Exact Mass585.58
IUPAC Name1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)(C)C)CC1.CC(C)C1CCN(CC(C)(C)C)CC1.CC(C)C1CCN(CC(C)(F)F)CC1
InChIInChI=1S/C13H27N.C12H25N.C11H21F2N/c1-11(2)12-6-8-14(9-7-12)10-13(3,4)5;1-10(2)11-6-8-13(9-7-11)12(3,4)5;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13/h11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3;9-10H,4-8H2,1-3H3
InChIKeyCZPRIJQIIKXUIX-UHFFFAOYSA-N
XLogP9.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.00
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine (CID 144929218) is 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C(C)(C)C)CC1.CC(C)C1CCN(CC(C)(C)C)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine?
The InChIKey is CZPRIJQIIKXUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C12H25N.C11H21F2N/c1-11(2)12-6-8-14(9-7-12)10-13(3,4)5;1-10(2)11-6-8-13(9-7-11)12(3,4)5;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13/h11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3;9-10H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine?
1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine has a molecular weight of 586.00 g/mol, XLogP of 9.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 144929218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).