3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine

C16H28F2N2 — CID 169145870

IUPAC3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
SMILESCC(C)N1CC=CC(C2CN(C(C)C)CC(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2/c1-12(2)19-7-5-6-14(9-19)15-8-16(17,18)11-20(10-15)13(3)4/h5-6,12-15H,7-11H2,1-4H3
InChIKeyRCSHUQQYGUGHJN-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.25
Rot. Bonds3

About 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine

3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine (PubChem CID 169145870) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
PubChem CID169145870
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
SMILESCC(C)N1CC=CC(C2CN(C(C)C)CC(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2/c1-12(2)19-7-5-6-14(9-19)15-8-16(17,18)11-20(10-15)13(3)4/h5-6,12-15H,7-11H2,1-4H3
InChIKeyRCSHUQQYGUGHJN-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
The IUPAC name of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine (CID 169145870) is 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine is CC(C)N1CC=CC(C2CN(C(C)C)CC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
The InChIKey is RCSHUQQYGUGHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-12(2)19-7-5-6-14(9-19)15-8-16(17,18)11-20(10-15)13(3)4/h5-6,12-15H,7-11H2,1-4H3.
What are the key properties of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine has a molecular weight of 286.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine is sourced from PubChem (CID 169145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).