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

C15H30N2O2 — CID 114079466

IUPACmethyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate
SMILESCCCNC1(CC(=O)OC)CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-5-8-16-15(11-14(18)19-4)6-9-17(10-7-15)12-13(2)3/h13,16H,5-12H2,1-4H3
InChIKeyWFKOFRYKNDBZOQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

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

methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate (PubChem CID 114079466) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate
PubChem CID114079466
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate
SMILESCCCNC1(CC(=O)OC)CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-5-8-16-15(11-14(18)19-4)6-9-17(10-7-15)12-13(2)3/h13,16H,5-12H2,1-4H3
InChIKeyWFKOFRYKNDBZOQ-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-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

methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553
methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824514
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate
CID 65235247
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
4-(methoxymethyl)-1-(2-methylpropyl)piperidin-4-ol
CID 103857787
3-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)propanoic acid
CID 62777105
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate (CID 114079466) is methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate is CCCNC1(CC(=O)OC)CCN(CC(C)C)CC1.
What is the InChIKey of methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate?
The InChIKey is WFKOFRYKNDBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-8-16-15(11-14(18)19-4)6-9-17(10-7-15)12-13(2)3/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate?
methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate is sourced from PubChem (CID 114079466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).