2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine

C10H13F2N3 — CID 126768331

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13F2N3/c11-9(12)8-2-6-15(7-3-8)10-13-4-1-5-14-10/h1,4-5,8-9H,2-3,6-7H2
InChIKeyGRIUQUUFPXEZSO-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.96
Rot. Bonds2

About 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine

2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 126768331) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID126768331
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13F2N3/c11-9(12)8-2-6-15(7-3-8)10-13-4-1-5-14-10/h1,4-5,8-9H,2-3,6-7H2
InChIKeyGRIUQUUFPXEZSO-UHFFFAOYSA-N
XLogP1.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine (CID 126768331) is 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine is FC(F)C1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is GRIUQUUFPXEZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c11-9(12)8-2-6-15(7-3-8)10-13-4-1-5-14-10/h1,4-5,8-9H,2-3,6-7H2.
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 213.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 126768331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).