ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate

C14H28N2O3 — CID 103245845

IUPACethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCC1CCN(CC)CC1
InChIInChI=1S/C14H28N2O3/c1-3-16-7-5-12(6-8-16)10-15-11-13(17)9-14(18)19-4-2/h12-13,15,17H,3-11H2,1-2H3
InChIKeyPSXNMQHKGYMHIJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.62
Rot. Bonds8

About ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate

ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate (PubChem CID 103245845) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate
PubChem CID103245845
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCC1CCN(CC)CC1
InChIInChI=1S/C14H28N2O3/c1-3-16-7-5-12(6-8-16)10-15-11-13(17)9-14(18)19-4-2/h12-13,15,17H,3-11H2,1-2H3
InChIKeyPSXNMQHKGYMHIJ-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
ethyl 3-hydroxy-4-(3-pyrrolidin-1-ylpropylamino)butanoate
CID 103250625
ethyl 3-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]butanoate
CID 114798276
ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
CID 82775103
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate (CID 103245845) is ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate is CCOC(=O)CC(O)CNCC1CCN(CC)CC1.
What is the InChIKey of ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate?
The InChIKey is PSXNMQHKGYMHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-16-7-5-12(6-8-16)10-15-11-13(17)9-14(18)19-4-2/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate?
ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate has a molecular weight of 272.39 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate is sourced from PubChem (CID 103245845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).