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

C14H21F2N3 — CID 112676467

IUPACN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-5-17-9-11-3-6-19(7-4-11)14-13(16)8-12(15)10-18-14/h8,10-11,17H,2-7,9H2,1H3
InChIKeyLELGBJHDZDTPAW-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.58
Rot. Bonds5

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

N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 112676467) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID112676467
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-5-17-9-11-3-6-19(7-4-11)14-13(16)8-12(15)10-18-14/h8,10-11,17H,2-7,9H2,1H3
InChIKeyLELGBJHDZDTPAW-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine (CID 112676467) is N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is LELGBJHDZDTPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-2-5-17-9-11-3-6-19(7-4-11)14-13(16)8-12(15)10-18-14/h8,10-11,17H,2-7,9H2,1H3.
What are the key properties of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 2.58, 5 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-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 112676467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).