4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid

C11H22N2O2 — CID 22184622

IUPAC4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid
SMILESCCCCC1CC(CN)CCN1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-10-7-9(8-12)5-6-13(10)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyVBPQRXYABBXJQP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.89
Rot. Bonds4

About 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid

4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid (PubChem CID 22184622) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid
PubChem CID22184622
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid
SMILESCCCCC1CC(CN)CCN1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-10-7-9(8-12)5-6-13(10)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyVBPQRXYABBXJQP-UHFFFAOYSA-N
XLogP1.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid (CID 22184622) is 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid is CCCCC1CC(CN)CCN1C(=O)O.
What is the InChIKey of 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid?
The InChIKey is VBPQRXYABBXJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-10-7-9(8-12)5-6-13(10)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid?
4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22184622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).