[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine

C12H17F2N3 — CID 175948489

IUPAC[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC(C(F)F)CC1
InChIInChI=1S/C12H17F2N3/c13-11(14)9-3-6-17(7-4-9)12-10(8-15)2-1-5-16-12/h1-2,5,9,11H,3-4,6-8,15H2
InChIKeyKOBZYPSWCDMMBA-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.02
Rot. Bonds3

About [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine

[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine (PubChem CID 175948489) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine
PubChem CID175948489
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC(C(F)F)CC1
InChIInChI=1S/C12H17F2N3/c13-11(14)9-3-6-17(7-4-9)12-10(8-15)2-1-5-16-12/h1-2,5,9,11H,3-4,6-8,15H2
InChIKeyKOBZYPSWCDMMBA-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine (CID 175948489) is [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine is NCc1cccnc1N1CCC(C(F)F)CC1.
What is the InChIKey of [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is KOBZYPSWCDMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c13-11(14)9-3-6-17(7-4-9)12-10(8-15)2-1-5-16-12/h1-2,5,9,11H,3-4,6-8,15H2.
What are the key properties of [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine?
[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 241.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 175948489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).