methyl 2-(1-butylpiperidin-4-yl)acetate

C12H23NO2 — CID 29064272

IUPACmethyl 2-(1-butylpiperidin-4-yl)acetate
SMILESCCCCN1CCC(CC(=O)OC)CC1
InChIInChI=1S/C12H23NO2/c1-3-4-7-13-8-5-11(6-9-13)10-12(14)15-2/h11H,3-10H2,1-2H3
InChIKeyHXDLFRDCVGMKMX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds5

About methyl 2-(1-butylpiperidin-4-yl)acetate

methyl 2-(1-butylpiperidin-4-yl)acetate (PubChem CID 29064272) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-(1-butylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-butylpiperidin-4-yl)acetate
PubChem CID29064272
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-(1-butylpiperidin-4-yl)acetate
SMILESCCCCN1CCC(CC(=O)OC)CC1
InChIInChI=1S/C12H23NO2/c1-3-4-7-13-8-5-11(6-9-13)10-12(14)15-2/h11H,3-10H2,1-2H3
InChIKeyHXDLFRDCVGMKMX-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(1-butylpiperidin-4-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

Related Compounds

ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
[4-(2-methoxy-2-oxoethyl)piperidin-1-yl]methanesulfinate
CID 174934092
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
methyl 2-[1-[methylidene(propyl)-λ4-sulfanyl]piperidin-4-yl]acetate
CID 58553185
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-butylpiperidin-4-yl)acetate?
The IUPAC name of methyl 2-(1-butylpiperidin-4-yl)acetate (CID 29064272) is methyl 2-(1-butylpiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-butylpiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-(1-butylpiperidin-4-yl)acetate is CCCCN1CCC(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(1-butylpiperidin-4-yl)acetate?
The InChIKey is HXDLFRDCVGMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-7-13-8-5-11(6-9-13)10-12(14)15-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-(1-butylpiperidin-4-yl)acetate?
methyl 2-(1-butylpiperidin-4-yl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-butylpiperidin-4-yl)acetate is sourced from PubChem (CID 29064272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).