methyl 2-[4-(methylamino)piperidin-1-yl]acetate

C9H18N2O2 — CID 67555710

IUPACmethyl 2-[4-(methylamino)piperidin-1-yl]acetate
SMILESCNC1CCN(CC(=O)OC)CC1
InChIInChI=1S/C9H18N2O2/c1-10-8-3-5-11(6-4-8)7-9(12)13-2/h8,10H,3-7H2,1-2H3
InChIKeyQHCNZRBYIJWSIT-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About methyl 2-[4-(methylamino)piperidin-1-yl]acetate

methyl 2-[4-(methylamino)piperidin-1-yl]acetate (PubChem CID 67555710) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-[4-(methylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(methylamino)piperidin-1-yl]acetate
PubChem CID67555710
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-[4-(methylamino)piperidin-1-yl]acetate
SMILESCNC1CCN(CC(=O)OC)CC1
InChIInChI=1S/C9H18N2O2/c1-10-8-3-5-11(6-4-8)7-9(12)13-2/h8,10H,3-7H2,1-2H3
InChIKeyQHCNZRBYIJWSIT-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(methylamino)piperidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(methylamino)piperidin-1-yl]acetate (CID 67555710) is methyl 2-[4-(methylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(methylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(methylamino)piperidin-1-yl]acetate is CNC1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(methylamino)piperidin-1-yl]acetate?
The InChIKey is QHCNZRBYIJWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-8-3-5-11(6-4-8)7-9(12)13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[4-(methylamino)piperidin-1-yl]acetate?
methyl 2-[4-(methylamino)piperidin-1-yl]acetate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 67555710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).