5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine

C14H21BrClN3 — CID 103582417

IUPAC5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncc(Br)cc1Cl)CN1CCCCC1
InChIInChI=1S/C14H21BrClN3/c1-11(10-19-5-3-2-4-6-19)8-17-14-13(16)7-12(15)9-18-14/h7,9,11H,2-6,8,10H2,1H3,(H,17,18)
InChIKeyGMUCPKRYDIUQSM-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.03
Rot. Bonds5

About 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine

5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 103582417) has the molecular formula C14H21BrClN3 and a molecular weight of 346.70 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID103582417
Molecular FormulaC14H21BrClN3
Molecular Weight346.70 g/mol
Exact Mass345.06
IUPAC Name5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncc(Br)cc1Cl)CN1CCCCC1
InChIInChI=1S/C14H21BrClN3/c1-11(10-19-5-3-2-4-6-19)8-17-14-13(16)7-12(15)9-18-14/h7,9,11H,2-6,8,10H2,1H3,(H,17,18)
InChIKeyGMUCPKRYDIUQSM-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine (CID 103582417) is 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine is CC(CNc1ncc(Br)cc1Cl)CN1CCCCC1.
What is the InChIKey of 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is GMUCPKRYDIUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3/c1-11(10-19-5-3-2-4-6-19)8-17-14-13(16)7-12(15)9-18-14/h7,9,11H,2-6,8,10H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine?
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 346.70 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 103582417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).