5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine

C14H22F2N4 — CID 115993890

IUPAC5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C14H22F2N4/c15-12-10-13(16)14(18-11-12)20-8-6-19(7-9-20)5-3-1-2-4-17/h10-11H,1-9,17H2
InChIKeyDHQSXAZDYCWXKZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.61
Rot. Bonds6

About 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine

5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine (PubChem CID 115993890) has the molecular formula C14H22F2N4 and a molecular weight of 284.35 g/mol. Its IUPAC name is 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine
PubChem CID115993890
Molecular FormulaC14H22F2N4
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC Name5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C14H22F2N4/c15-12-10-13(16)14(18-11-12)20-8-6-19(7-9-20)5-3-1-2-4-17/h10-11H,1-9,17H2
InChIKeyDHQSXAZDYCWXKZ-UHFFFAOYSA-N
XLogP1.61
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine (CID 115993890) is 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine is NCCCCCN1CCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is DHQSXAZDYCWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4/c15-12-10-13(16)14(18-11-12)20-8-6-19(7-9-20)5-3-1-2-4-17/h10-11H,1-9,17H2.
What are the key properties of 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 284.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 115993890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).