3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine

C14H23BrN4 — CID 61375225

IUPAC3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C14H23BrN4/c1-2-12(5-6-16)18-8-10-19(11-9-18)14-13(15)4-3-7-17-14/h3-4,7,12H,2,5-6,8-11,16H2,1H3
InChIKeyPKMOTHGMOGMAEJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.09
Rot. Bonds5

About 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine

3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine (PubChem CID 61375225) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
PubChem CID61375225
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C14H23BrN4/c1-2-12(5-6-16)18-8-10-19(11-9-18)14-13(15)4-3-7-17-14/h3-4,7,12H,2,5-6,8-11,16H2,1H3
InChIKeyPKMOTHGMOGMAEJ-UHFFFAOYSA-N
XLogP2.09
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine (CID 61375225) is 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2ncccc2Br)CC1.
What is the InChIKey of 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is PKMOTHGMOGMAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-2-12(5-6-16)18-8-10-19(11-9-18)14-13(15)4-3-7-17-14/h3-4,7,12H,2,5-6,8-11,16H2,1H3.
What are the key properties of 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 61375225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).