ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate

C12H24N2O2 — CID 63383012

IUPACethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(C)CN)C1
InChIInChI=1S/C12H24N2O2/c1-3-16-12(15)11-5-4-6-14(9-11)8-10(2)7-13/h10-11H,3-9,13H2,1-2H3
InChIKeyMLEOUFPCYVGVOE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.86
Rot. Bonds5

About ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate

ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate (PubChem CID 63383012) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
PubChem CID63383012
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(C)CN)C1
InChIInChI=1S/C12H24N2O2/c1-3-16-12(15)11-5-4-6-14(9-11)8-10(2)7-13/h10-11H,3-9,13H2,1-2H3
InChIKeyMLEOUFPCYVGVOE-UHFFFAOYSA-N
XLogP0.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
CID 63383208
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3R)-1-(2,2-dimethoxyethyl)piperidine-3-carboxylate
CID 115538052
ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate (CID 63383012) is ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(C)CN)C1.
What is the InChIKey of ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate?
The InChIKey is MLEOUFPCYVGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-16-12(15)11-5-4-6-14(9-11)8-10(2)7-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate?
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 63383012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).