methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate

C14H28N2O2 — CID 83990231

IUPACmethyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
SMILESCCCN1CC(CCC(=O)OC)CC(NCC)C1
InChIInChI=1S/C14H28N2O2/c1-4-8-16-10-12(6-7-14(17)18-3)9-13(11-16)15-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyYLFQFPKPJSZLSH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds7

About methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate

methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate (PubChem CID 83990231) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
PubChem CID83990231
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
SMILESCCCN1CC(CCC(=O)OC)CC(NCC)C1
InChIInChI=1S/C14H28N2O2/c1-4-8-16-10-12(6-7-14(17)18-3)9-13(11-16)15-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyYLFQFPKPJSZLSH-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
1-(2-aminoethyl)-N-ethyl-5-propylpiperidin-3-amine
CID 83990747
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate (CID 83990231) is methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate is CCCN1CC(CCC(=O)OC)CC(NCC)C1.
What is the InChIKey of methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate?
The InChIKey is YLFQFPKPJSZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-8-16-10-12(6-7-14(17)18-3)9-13(11-16)15-5-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate?
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate is sourced from PubChem (CID 83990231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).