ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate

C15H30N2O2 — CID 79715051

IUPACethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-5-19-15(18)10-13(4)17(12(2)3)11-14-6-8-16-9-7-14/h12-14,16H,5-11H2,1-4H3
InChIKeyUDRVAYOZNBBPBO-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

About ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate

ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate (PubChem CID 79715051) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
PubChem CID79715051
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-5-19-15(18)10-13(4)17(12(2)3)11-14-6-8-16-9-7-14/h12-14,16H,5-11H2,1-4H3
InChIKeyUDRVAYOZNBBPBO-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-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate
CID 120855221
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 79720897

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate?
The IUPAC name of ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate (CID 79715051) is ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate is CCOC(=O)CC(C)N(CC1CCNCC1)C(C)C.
What is the InChIKey of ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate?
The InChIKey is UDRVAYOZNBBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-19-15(18)10-13(4)17(12(2)3)11-14-6-8-16-9-7-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate?
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate 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 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate is sourced from PubChem (CID 79715051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).