methyl 3-[methyl(piperidin-4-yl)amino]butanoate

C11H22N2O2 — CID 43607263

IUPACmethyl 3-[methyl(piperidin-4-yl)amino]butanoate
SMILESCOC(=O)CC(C)N(C)C1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-9(8-11(14)15-3)13(2)10-4-6-12-7-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyLVQHHDOADKONNW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About methyl 3-[methyl(piperidin-4-yl)amino]butanoate

methyl 3-[methyl(piperidin-4-yl)amino]butanoate (PubChem CID 43607263) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-[methyl(piperidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(piperidin-4-yl)amino]butanoate
PubChem CID43607263
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-[methyl(piperidin-4-yl)amino]butanoate
SMILESCOC(=O)CC(C)N(C)C1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-9(8-11(14)15-3)13(2)10-4-6-12-7-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyLVQHHDOADKONNW-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
CID 67598911
4-[cyclopentyl(methyl)amino]pentan-2-one
CID 64698717
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
CID 120835310
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N,2-dimethyl-3-[methyl(piperidin-4-yl)amino]propanamide
CID 106915781
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(piperidin-4-yl)amino]butanoate?
The IUPAC name of methyl 3-[methyl(piperidin-4-yl)amino]butanoate (CID 43607263) is methyl 3-[methyl(piperidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 3-[methyl(piperidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 3-[methyl(piperidin-4-yl)amino]butanoate is COC(=O)CC(C)N(C)C1CCNCC1.
What is the InChIKey of methyl 3-[methyl(piperidin-4-yl)amino]butanoate?
The InChIKey is LVQHHDOADKONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-11(14)15-3)13(2)10-4-6-12-7-5-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 3-[methyl(piperidin-4-yl)amino]butanoate?
methyl 3-[methyl(piperidin-4-yl)amino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(piperidin-4-yl)amino]butanoate is sourced from PubChem (CID 43607263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).