methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate

C14H29N3O2 — CID 63028267

IUPACmethyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
SMILESCCNC(CCN1CCC(N(C)C)CC1)C(=O)OC
InChIInChI=1S/C14H29N3O2/c1-5-15-13(14(18)19-4)8-11-17-9-6-12(7-10-17)16(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyWHRXJCFRXTZMEG-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds7

About methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate

methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate (PubChem CID 63028267) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
PubChem CID63028267
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
SMILESCCNC(CCN1CCC(N(C)C)CC1)C(=O)OC
InChIInChI=1S/C14H29N3O2/c1-5-15-13(14(18)19-4)8-11-17-9-6-12(7-10-17)16(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyWHRXJCFRXTZMEG-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
CID 63028069
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate?
The IUPAC name of methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate (CID 63028267) is methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate?
The canonical SMILES for methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate is CCNC(CCN1CCC(N(C)C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate?
The InChIKey is WHRXJCFRXTZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-15-13(14(18)19-4)8-11-17-9-6-12(7-10-17)16(2)3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate?
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate has a molecular weight of 271.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate is sourced from PubChem (CID 63028267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).