[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate

C15H29NO2 — CID 176612204

IUPAC[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)9-15(17)18-11-14-5-7-16(8-6-14)10-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFZCHDBXTGKTGIR-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.94
Rot. Bonds6

About [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate

[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate (PubChem CID 176612204) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate.

Molecular Properties

Compound Name[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
PubChem CID176612204
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)9-15(17)18-11-14-5-7-16(8-6-14)10-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFZCHDBXTGKTGIR-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate 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

N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate?
The IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate (CID 176612204) is [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate.
What is the SMILES notation for [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate?
The canonical SMILES for [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate is CC(C)CC(=O)OCC1CCN(CC(C)C)CC1.
What is the InChIKey of [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate?
The InChIKey is FZCHDBXTGKTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)9-15(17)18-11-14-5-7-16(8-6-14)10-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate?
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate has a molecular weight of 255.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate is sourced from PubChem (CID 176612204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).