4-cycloheptyl-3-methylpiperazine-1-carboxylic acid

C13H24N2O2 — CID 146188408

IUPAC4-cycloheptyl-3-methylpiperazine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CCN1C1CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-11-10-14(13(16)17)8-9-15(11)12-6-4-2-3-5-7-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyHASVWFZWGULISE-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.39
Rot. Bonds1

About 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid

4-cycloheptyl-3-methylpiperazine-1-carboxylic acid (PubChem CID 146188408) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-cycloheptyl-3-methylpiperazine-1-carboxylic acid
PubChem CID146188408
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-cycloheptyl-3-methylpiperazine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CCN1C1CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-11-10-14(13(16)17)8-9-15(11)12-6-4-2-3-5-7-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyHASVWFZWGULISE-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid?
The IUPAC name of 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid (CID 146188408) is 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid is CC1CN(C(=O)O)CCN1C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid?
The InChIKey is HASVWFZWGULISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-10-14(13(16)17)8-9-15(11)12-6-4-2-3-5-7-12/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid?
4-cycloheptyl-3-methylpiperazine-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-3-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 146188408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).