N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine

C14H19F2N3 — CID 112676486

IUPACN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFc1cnc(N2CCCC(CNC3CC3)C2)c(F)c1
InChIInChI=1S/C14H19F2N3/c15-11-6-13(16)14(18-8-11)19-5-1-2-10(9-19)7-17-12-3-4-12/h6,8,10,12,17H,1-5,7,9H2
InChIKeyPKJJJMTUDLBILT-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.33
Rot. Bonds4

About N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 112676486) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID112676486
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFc1cnc(N2CCCC(CNC3CC3)C2)c(F)c1
InChIInChI=1S/C14H19F2N3/c15-11-6-13(16)14(18-8-11)19-5-1-2-10(9-19)7-17-12-3-4-12/h6,8,10,12,17H,1-5,7,9H2
InChIKeyPKJJJMTUDLBILT-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine (CID 112676486) is N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine is Fc1cnc(N2CCCC(CNC3CC3)C2)c(F)c1.
What is the InChIKey of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is PKJJJMTUDLBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c15-11-6-13(16)14(18-8-11)19-5-1-2-10(9-19)7-17-12-3-4-12/h6,8,10,12,17H,1-5,7,9H2.
What are the key properties of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 267.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 112676486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).