N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine

C15H23F2N3 — CID 115993874

IUPACN-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C15H23F2N3/c1-3-6-18-11(2)12-4-7-20(8-5-12)15-14(17)9-13(16)10-19-15/h9-12,18H,3-8H2,1-2H3
InChIKeyANTVOTJNHHOQFI-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds5

About N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine

N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine (PubChem CID 115993874) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
PubChem CID115993874
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C15H23F2N3/c1-3-6-18-11(2)12-4-7-20(8-5-12)15-14(17)9-13(16)10-19-15/h9-12,18H,3-8H2,1-2H3
InChIKeyANTVOTJNHHOQFI-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine (CID 115993874) is N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine is CCCNC(C)C1CCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The InChIKey is ANTVOTJNHHOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-3-6-18-11(2)12-4-7-20(8-5-12)15-14(17)9-13(16)10-19-15/h9-12,18H,3-8H2,1-2H3.
What are the key properties of N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 115993874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).