1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine

C15H28F2N2O — CID 170606678

IUPAC1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine
SMILESCC(C)(C)N1CCC(OCCN2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H28F2N2O/c1-14(2,3)19-7-4-13(12-19)20-11-10-18-8-5-15(16,17)6-9-18/h13H,4-12H2,1-3H3
InChIKeyVJTREVOGBUPUAT-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine

1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine (PubChem CID 170606678) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine
PubChem CID170606678
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine
SMILESCC(C)(C)N1CCC(OCCN2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H28F2N2O/c1-14(2,3)19-7-4-13(12-19)20-11-10-18-8-5-15(16,17)6-9-18/h13H,4-12H2,1-3H3
InChIKeyVJTREVOGBUPUAT-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine (CID 170606678) is 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine is CC(C)(C)N1CCC(OCCN2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine?
The InChIKey is VJTREVOGBUPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O/c1-14(2,3)19-7-4-13(12-19)20-11-10-18-8-5-15(16,17)6-9-18/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine?
1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine has a molecular weight of 290.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine is sourced from PubChem (CID 170606678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).