ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate

C15H30N2O2 — CID 107163692

IUPACethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
SMILESCCCC(NCC1(C)CCN(C)CC1)C(=O)OCC
InChIInChI=1S/C15H30N2O2/c1-5-7-13(14(18)19-6-2)16-12-15(3)8-10-17(4)11-9-15/h13,16H,5-12H2,1-4H3
InChIKeyAQTRSPPVUHXNPN-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate

ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate (PubChem CID 107163692) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
PubChem CID107163692
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
SMILESCCCC(NCC1(C)CCN(C)CC1)C(=O)OCC
InChIInChI=1S/C15H30N2O2/c1-5-7-13(14(18)19-6-2)16-12-15(3)8-10-17(4)11-9-15/h13,16H,5-12H2,1-4H3
InChIKeyAQTRSPPVUHXNPN-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

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Related Compounds

ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
CID 114756588
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
CID 83041957
ethyl 2-(propylamino)pentanoate
CID 21021838
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
ethyl 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylate
CID 104879773
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
methyl 2-[(1-methylcyclopentyl)methylamino]butanoate
CID 115353388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate?
The IUPAC name of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate (CID 107163692) is ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate is CCCC(NCC1(C)CCN(C)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate?
The InChIKey is AQTRSPPVUHXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-7-13(14(18)19-6-2)16-12-15(3)8-10-17(4)11-9-15/h13,16H,5-12H2,1-4H3.
What are the key properties of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate?
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate 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 ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate is sourced from PubChem (CID 107163692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).