[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine

C14H22BrN3 — CID 113469892

IUPAC[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine
SMILESCC(C)N1CCCC(CN)C1c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3/c1-10(2)18-5-3-4-11(7-16)14(18)12-6-13(15)9-17-8-12/h6,8-11,14H,3-5,7,16H2,1-2H3
InChIKeyNPMFBEBDMVGDTM-UHFFFAOYSA-N
MW312.26 g/mol
LogP2.96
Rot. Bonds3

About [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine

[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine (PubChem CID 113469892) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine
PubChem CID113469892
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine
SMILESCC(C)N1CCCC(CN)C1c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3/c1-10(2)18-5-3-4-11(7-16)14(18)12-6-13(15)9-17-8-12/h6,8-11,14H,3-5,7,16H2,1-2H3
InChIKeyNPMFBEBDMVGDTM-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 102844546
4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
CID 113469903
[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
CID 79972102
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
CID 130488636
[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 65101265
[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 79584237
3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine
CID 146573247
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine
CID 146139589
2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
CID 114222312

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine (CID 113469892) is [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine is CC(C)N1CCCC(CN)C1c1cncc(Br)c1.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The InChIKey is NPMFBEBDMVGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-10(2)18-5-3-4-11(7-16)14(18)12-6-13(15)9-17-8-12/h6,8-11,14H,3-5,7,16H2,1-2H3.
What are the key properties of [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine?
[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine has a molecular weight of 312.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine is sourced from PubChem (CID 113469892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).