N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine

C11H16BrN3 — CID 71636466

IUPACN-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
SMILESBrc1ccc(CNC2CCCNC2)cn1
InChIInChI=1S/C11H16BrN3/c12-11-4-3-9(7-15-11)6-14-10-2-1-5-13-8-10/h3-4,7,10,13-14H,1-2,5-6,8H2
InChIKeyVMOGDXXJYBITRN-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.69
Rot. Bonds3

About N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine

N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine (PubChem CID 71636466) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
PubChem CID71636466
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC NameN-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
SMILESBrc1ccc(CNC2CCCNC2)cn1
InChIInChI=1S/C11H16BrN3/c12-11-4-3-9(7-15-11)6-14-10-2-1-5-13-8-10/h3-4,7,10,13-14H,1-2,5-6,8H2
InChIKeyVMOGDXXJYBITRN-UHFFFAOYSA-N
XLogP1.69
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-amine
CID 138001952
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
N-[(6-methylnaphthalen-2-yl)methyl]piperidin-3-amine
CID 115118209

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine?
The IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine (CID 71636466) is N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine is Brc1ccc(CNC2CCCNC2)cn1.
What is the InChIKey of N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine?
The InChIKey is VMOGDXXJYBITRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-11-4-3-9(7-15-11)6-14-10-2-1-5-13-8-10/h3-4,7,10,13-14H,1-2,5-6,8H2.
What are the key properties of N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine?
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine has a molecular weight of 270.17 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine is sourced from PubChem (CID 71636466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).