4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid

C12H16ClN3O2 — CID 87152500

IUPAC4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid
SMILESNCC1(c2cccc(Cl)n2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H16ClN3O2/c13-10-3-1-2-9(15-10)12(8-14)4-6-16(7-5-12)11(17)18/h1-3H,4-8,14H2,(H,17,18)
InChIKeyKFYAQEJOSJXFFI-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.71
Rot. Bonds2

About 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid

4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid (PubChem CID 87152500) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid
PubChem CID87152500
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid
SMILESNCC1(c2cccc(Cl)n2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H16ClN3O2/c13-10-3-1-2-9(15-10)12(8-14)4-6-16(7-5-12)11(17)18/h1-3H,4-8,14H2,(H,17,18)
InChIKeyKFYAQEJOSJXFFI-UHFFFAOYSA-N
XLogP1.71
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.71
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

[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine
CID 96888639
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 175476846
4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid
CID 68843210
3-amino-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324306
4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride
CID 110177271
4-(2-fluorophenyl)-4-prop-2-ynylpiperidine-1-carboxylic acid
CID 87216733
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 91084745
4-(bromomethyl)-4-(4-bromophenyl)piperidine-1-carboxylic acid
CID 91615874
4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid
CID 69448367
[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166291641
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid (CID 87152500) is 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid is NCC1(c2cccc(Cl)n2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid?
The InChIKey is KFYAQEJOSJXFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-3-1-2-9(15-10)12(8-14)4-6-16(7-5-12)11(17)18/h1-3H,4-8,14H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid?
4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid has a molecular weight of 269.73 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87152500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).