1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine

C14H21BrN4 — CID 104777592

IUPAC1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ccncc3Br)C2)CC1
InChIInChI=1S/C14H21BrN4/c15-13-9-17-5-1-14(13)19-8-4-12(10-19)18-6-2-11(16)3-7-18/h1,5,9,11-12H,2-4,6-8,10,16H2
InChIKeyAORKTTAPFLWYRR-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.85
Rot. Bonds2

About 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 104777592) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID104777592
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ccncc3Br)C2)CC1
InChIInChI=1S/C14H21BrN4/c15-13-9-17-5-1-14(13)19-8-4-12(10-19)18-6-2-11(16)3-7-18/h1,5,9,11-12H,2-4,6-8,10,16H2
InChIKeyAORKTTAPFLWYRR-UHFFFAOYSA-N
XLogP1.85
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine (CID 104777592) is 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(c3ccncc3Br)C2)CC1.
What is the InChIKey of 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is AORKTTAPFLWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c15-13-9-17-5-1-14(13)19-8-4-12(10-19)18-6-2-11(16)3-7-18/h1,5,9,11-12H,2-4,6-8,10,16H2.
What are the key properties of 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 325.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 104777592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).