2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid

C14H20BrN3O2 — CID 106814312

IUPAC2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESCc1cc(N2CCCC(CNCC(=O)O)C2)ncc1Br
InChIInChI=1S/C14H20BrN3O2/c1-10-5-13(17-7-12(10)15)18-4-2-3-11(9-18)6-16-8-14(19)20/h5,7,11,16H,2-4,6,8-9H2,1H3,(H,19,20)
InChIKeyUGUOUVDPAJHEMT-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.04
Rot. Bonds5

About 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814312) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814312
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESCc1cc(N2CCCC(CNCC(=O)O)C2)ncc1Br
InChIInChI=1S/C14H20BrN3O2/c1-10-5-13(17-7-12(10)15)18-4-2-3-11(9-18)6-16-8-14(19)20/h5,7,11,16H,2-4,6,8-9H2,1H3,(H,19,20)
InChIKeyUGUOUVDPAJHEMT-UHFFFAOYSA-N
XLogP2.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 114869508
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
CID 106814327
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid (CID 106814312) is 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid is Cc1cc(N2CCCC(CNCC(=O)O)C2)ncc1Br.
What is the InChIKey of 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is UGUOUVDPAJHEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10-5-13(17-7-12(10)15)18-4-2-3-11(9-18)6-16-8-14(19)20/h5,7,11,16H,2-4,6,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 342.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).