4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine

C15H28F2N2 — CID 154670267

IUPAC4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine
SMILESCCCC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C15H28F2N2/c1-4-5-13-10-19(11-15(13,16)17)14-6-8-18(9-7-14)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyYVBJLZRLHRLADP-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.23
Rot. Bonds4

About 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine

4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine (PubChem CID 154670267) has the molecular formula C15H28F2N2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine
PubChem CID154670267
Molecular FormulaC15H28F2N2
Molecular Weight274.40 g/mol
Exact Mass274.22
IUPAC Name4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine
SMILESCCCC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C15H28F2N2/c1-4-5-13-10-19(11-15(13,16)17)14-6-8-18(9-7-14)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyYVBJLZRLHRLADP-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine (CID 154670267) is 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine is CCCC1CN(C2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine?
The InChIKey is YVBJLZRLHRLADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2/c1-4-5-13-10-19(11-15(13,16)17)14-6-8-18(9-7-14)12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine?
4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine has a molecular weight of 274.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-4-propylpyrrolidin-1-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 154670267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).