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

C15H30N2O2 — CID 83040877

IUPACethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H30N2O2/c1-5-8-14(15(18)19-7-3)16(4)13-9-11-17(6-2)12-10-13/h13-14H,5-12H2,1-4H3
InChIKeyULPSMSAJFDNTJP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.13
Rot. Bonds7

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

ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate (PubChem CID 83040877) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
PubChem CID83040877
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H30N2O2/c1-5-8-14(15(18)19-7-3)16(4)13-9-11-17(6-2)12-10-13/h13-14H,5-12H2,1-4H3
InChIKeyULPSMSAJFDNTJP-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide
CID 55213277
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
N-(1-ethylpiperidin-4-yl)-4-hydroxy-N-methylpentanamide
CID 79192601
2-[cyclohexyl(methyl)amino]pentanehydrazide
CID 83047526
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate?
The IUPAC name of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate (CID 83040877) is ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate is CCCC(C(=O)OCC)N(C)C1CCN(CC)CC1.
What is the InChIKey of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate?
The InChIKey is ULPSMSAJFDNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-8-14(15(18)19-7-3)16(4)13-9-11-17(6-2)12-10-13/h13-14H,5-12H2,1-4H3.
What are the key properties of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate?
ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate is sourced from PubChem (CID 83040877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).