(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C13H22F2N2O — CID 77444038

IUPAC(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CC(F)(F)CN2)CC1
InChIInChI=1S/C13H22F2N2O/c1-9(2)10-3-5-17(6-4-10)12(18)11-7-13(14,15)8-16-11/h9-11,16H,3-8H2,1-2H3
InChIKeyQNMDDMQJNZHMKV-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.88
Rot. Bonds2

About (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 77444038) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID77444038
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CC(F)(F)CN2)CC1
InChIInChI=1S/C13H22F2N2O/c1-9(2)10-3-5-17(6-4-10)12(18)11-7-13(14,15)8-16-11/h9-11,16H,3-8H2,1-2H3
InChIKeyQNMDDMQJNZHMKV-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 77444038) is (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CC(F)(F)CN2)CC1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is QNMDDMQJNZHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-9(2)10-3-5-17(6-4-10)12(18)11-7-13(14,15)8-16-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 260.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 77444038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).