(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid

C11H14ClN3O2 — CID 68977677

IUPAC(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)O
InChIInChI=1S/C11H14ClN3O2/c1-8-7-14(5-6-15(8)11(16)17)10-9(12)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyUUVVZKBHDBSMHH-MRVPVSSYSA-N
MW255.70 g/mol
LogP1.92
Rot. Bonds1

About (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid

(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 68977677) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
PubChem CID68977677
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)O
InChIInChI=1S/C11H14ClN3O2/c1-8-7-14(5-6-15(8)11(16)17)10-9(12)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyUUVVZKBHDBSMHH-MRVPVSSYSA-N
XLogP1.92
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid (CID 68977677) is (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)O.
What is the InChIKey of (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is UUVVZKBHDBSMHH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8-7-14(5-6-15(8)11(16)17)10-9(12)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68977677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).