3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine

C17H30F2N2 — CID 170175583

IUPAC3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine
SMILESCC(C)=CC1CCN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C17H30F2N2/c1-13(2)11-15-5-8-21(12-17(15,18)19)16-6-9-20(10-7-16)14(3)4/h11,14-16H,5-10,12H2,1-4H3
InChIKeyPNNINOJKICHHBP-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.78
Rot. Bonds3

About 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine

3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine (PubChem CID 170175583) has the molecular formula C17H30F2N2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine
PubChem CID170175583
Molecular FormulaC17H30F2N2
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine
SMILESCC(C)=CC1CCN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C17H30F2N2/c1-13(2)11-15-5-8-21(12-17(15,18)19)16-6-9-20(10-7-16)14(3)4/h11,14-16H,5-10,12H2,1-4H3
InChIKeyPNNINOJKICHHBP-UHFFFAOYSA-N
XLogP3.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.78
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-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine?
The IUPAC name of 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine (CID 170175583) is 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine is CC(C)=CC1CCN(C2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine?
The InChIKey is PNNINOJKICHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N2/c1-13(2)11-15-5-8-21(12-17(15,18)19)16-6-9-20(10-7-16)14(3)4/h11,14-16H,5-10,12H2,1-4H3.
What are the key properties of 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine?
3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine has a molecular weight of 300.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine is sourced from PubChem (CID 170175583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).