5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine

C12H18BrN3 — CID 76693034

IUPAC5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine
SMILESCC1CCC(CNc2ccc(Br)cn2)NC1
InChIInChI=1S/C12H18BrN3/c1-9-2-4-11(14-6-9)8-16-12-5-3-10(13)7-15-12/h3,5,7,9,11,14H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyQFPKPLFTVNTEBB-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine

5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine (PubChem CID 76693034) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine
PubChem CID76693034
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine
SMILESCC1CCC(CNc2ccc(Br)cn2)NC1
InChIInChI=1S/C12H18BrN3/c1-9-2-4-11(14-6-9)8-16-12-5-3-10(13)7-15-12/h3,5,7,9,11,14H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyQFPKPLFTVNTEBB-UHFFFAOYSA-N
XLogP2.64
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine (CID 76693034) is 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine is CC1CCC(CNc2ccc(Br)cn2)NC1.
What is the InChIKey of 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine?
The InChIKey is QFPKPLFTVNTEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-2-4-11(14-6-9)8-16-12-5-3-10(13)7-15-12/h3,5,7,9,11,14H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine?
5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 76693034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).