methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate

C14H28N2O2 — CID 63054032

IUPACmethyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
SMILESCCNC(CCN1CCCC(CC)C1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-4-12-7-6-9-16(11-12)10-8-13(15-5-2)14(17)18-3/h12-13,15H,4-11H2,1-3H3
InChIKeyZXTMYIFTJDJQAZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds7

About methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate

methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate (PubChem CID 63054032) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
PubChem CID63054032
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
SMILESCCNC(CCN1CCCC(CC)C1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-4-12-7-6-9-16(11-12)10-8-13(15-5-2)14(17)18-3/h12-13,15H,4-11H2,1-3H3
InChIKeyZXTMYIFTJDJQAZ-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 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
hydrazinyl 3-(3-ethylpiperidin-1-yl)propanoate
CID 66339133
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate (CID 63054032) is methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate is CCNC(CCN1CCCC(CC)C1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate?
The InChIKey is ZXTMYIFTJDJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12-7-6-9-16(11-12)10-8-13(15-5-2)14(17)18-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate?
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate 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 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate is sourced from PubChem (CID 63054032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).