1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid

C11H17N3O2 — CID 43440686

IUPAC1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCn1ccnc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17N3O2/c1-13-6-4-12-10(13)8-14-5-2-3-9(7-14)11(15)16/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyUQDHGPAUIXMHGM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid

1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440686) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID43440686
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCn1ccnc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17N3O2/c1-13-6-4-12-10(13)8-14-5-2-3-9(7-14)11(15)16/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyUQDHGPAUIXMHGM-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid (CID 43440686) is 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid is Cn1ccnc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is UQDHGPAUIXMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-6-4-12-10(13)8-14-5-2-3-9(7-14)11(15)16/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).