butyl 2-(piperidin-1-ylamino)acetate

C11H22N2O2 — CID 83013770

IUPACbutyl 2-(piperidin-1-ylamino)acetate
SMILESCCCCOC(=O)CNN1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-9-15-11(14)10-12-13-7-5-4-6-8-13/h12H,2-10H2,1H3
InChIKeyNXCKSXRPJHWKOE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.32
Rot. Bonds6

About butyl 2-(piperidin-1-ylamino)acetate

butyl 2-(piperidin-1-ylamino)acetate (PubChem CID 83013770) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is butyl 2-(piperidin-1-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(piperidin-1-ylamino)acetate
PubChem CID83013770
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namebutyl 2-(piperidin-1-ylamino)acetate
SMILESCCCCOC(=O)CNN1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-9-15-11(14)10-12-13-7-5-4-6-8-13/h12H,2-10H2,1H3
InChIKeyNXCKSXRPJHWKOE-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(cyclooctylamino)acetate
CID 54917785
butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate
CID 62991023
butyl 2-(methylamino)acetate;methane
CID 157477406
hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate
CID 118924385
butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 83014680
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate
CID 54967882
N-methyl-2-(piperidin-1-ylamino)acetamide
CID 83013556
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
butyl 2-(octylamino)acetate
CID 115567498

Frequently Asked Questions

What is the IUPAC name of butyl 2-(piperidin-1-ylamino)acetate?
The IUPAC name of butyl 2-(piperidin-1-ylamino)acetate (CID 83013770) is butyl 2-(piperidin-1-ylamino)acetate.
What is the SMILES notation for butyl 2-(piperidin-1-ylamino)acetate?
The canonical SMILES for butyl 2-(piperidin-1-ylamino)acetate is CCCCOC(=O)CNN1CCCCC1.
What is the InChIKey of butyl 2-(piperidin-1-ylamino)acetate?
The InChIKey is NXCKSXRPJHWKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-9-15-11(14)10-12-13-7-5-4-6-8-13/h12H,2-10H2,1H3.
What are the key properties of butyl 2-(piperidin-1-ylamino)acetate?
butyl 2-(piperidin-1-ylamino)acetate has a molecular weight of 214.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(piperidin-1-ylamino)acetate is sourced from PubChem (CID 83013770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).