ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate

C13H26N2O2 — CID 107094633

IUPACethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
SMILESCCOC(=O)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)9-14-12-5-7-15(8-6-12)10-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyQLHAJBFJNGOYIW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

About ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate

ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate (PubChem CID 107094633) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
PubChem CID107094633
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
SMILESCCOC(=O)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)9-14-12-5-7-15(8-6-12)10-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyQLHAJBFJNGOYIW-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 60681705
N,N-diethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetamide
CID 103779036
N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate (CID 107094633) is ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate is CCOC(=O)CNC1CCN(CC(C)C)CC1.
What is the InChIKey of ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate?
The InChIKey is QLHAJBFJNGOYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-13(16)9-14-12-5-7-15(8-6-12)10-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate?
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 107094633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).