methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate

C14H27NO2 — CID 117242052

IUPACmethyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
SMILESCOC(=O)C(CN1CCCCC1)CC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-14(2,3)10-12(13(16)17-4)11-15-8-6-5-7-9-15/h12H,5-11H2,1-4H3
InChIKeyLXOMVFDSEOOCMZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds4

About methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate

methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate (PubChem CID 117242052) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
PubChem CID117242052
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
SMILESCOC(=O)C(CN1CCCCC1)CC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-14(2,3)10-12(13(16)17-4)11-15-8-6-5-7-9-15/h12H,5-11H2,1-4H3
InChIKeyLXOMVFDSEOOCMZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate 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

4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 107474872
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
methyl 3-(azepan-1-yl)-2-bromopropanoate
CID 81099899
methyl 3-methyl-2-(piperidin-1-ylmethyl)butanoate
CID 117242458
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671
methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)butanoate
CID 117242456
methyl 2-(azepan-1-ylmethyl)-3-(furan-2-yl)propanoate
CID 117246343
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
dimethyl (2R,4S)-2-cyclohexyl-4-(2,2-dimethylpropyl)pentanedioate
CID 101071266
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589
methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
CID 117242468

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate?
The IUPAC name of methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate (CID 117242052) is methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate.
What is the SMILES notation for methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate?
The canonical SMILES for methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate is COC(=O)C(CN1CCCCC1)CC(C)(C)C.
What is the InChIKey of methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate?
The InChIKey is LXOMVFDSEOOCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)10-12(13(16)17-4)11-15-8-6-5-7-9-15/h12H,5-11H2,1-4H3.
What are the key properties of methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate?
methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate has a molecular weight of 241.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate is sourced from PubChem (CID 117242052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).