butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate

C15H30N2O2 — CID 57473456

IUPACbutyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate
SMILESCCCCOC(=O)C(NN1CCC(C)CC1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-5-6-11-19-15(18)14(12(2)3)16-17-9-7-13(4)8-10-17/h12-14,16H,5-11H2,1-4H3
InChIKeyLVOLYUCRWBFREG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.59
Rot. Bonds7

About butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate

butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate (PubChem CID 57473456) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate.

Molecular Properties

Compound Namebutyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate
PubChem CID57473456
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namebutyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate
SMILESCCCCOC(=O)C(NN1CCC(C)CC1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-5-6-11-19-15(18)14(12(2)3)16-17-9-7-13(4)8-10-17/h12-14,16H,5-11H2,1-4H3
InChIKeyLVOLYUCRWBFREG-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.59
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 (2S)-2-(methoxycarbonylamino)-3-methylbutanoate
CID 131967474
butyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate
CID 91696236
hexyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate
CID 20837340
butyl (2S)-3-methyl-2-(3-oxobutanoylamino)butanoate
CID 54507441
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
2-[(4-methylpiperidin-1-yl)amino]propanoic acid
CID 166794426
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
butyl 2-(3-hydroxypiperidin-1-yl)propanoate
CID 111461830
4-methyl-N-propan-2-ylpiperidin-1-amine
CID 89410792
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080
butyl 2-(5-chloropentanoylamino)-3-methylbutanoate
CID 91696229

Frequently Asked Questions

What is the IUPAC name of butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate?
The IUPAC name of butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate (CID 57473456) is butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate.
What is the SMILES notation for butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate?
The canonical SMILES for butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate is CCCCOC(=O)C(NN1CCC(C)CC1)C(C)C.
What is the InChIKey of butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate?
The InChIKey is LVOLYUCRWBFREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-11-19-15(18)14(12(2)3)16-17-9-7-13(4)8-10-17/h12-14,16H,5-11H2,1-4H3.
What are the key properties of butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate?
butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-methyl-2-[(4-methylpiperidin-1-yl)amino]butanoate is sourced from PubChem (CID 57473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).