ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate

C14H26N2O3 — CID 19980407

IUPACethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate
SMILESC=C(CN(C)C)CC1(O)CCN(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-19-13(17)16-8-6-14(18,7-9-16)10-12(2)11-15(3)4/h18H,2,5-11H2,1,3-4H3
InChIKeyDKVZFNWQAKJEAJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds5

About ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate

ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 19980407) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID19980407
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate
SMILESC=C(CN(C)C)CC1(O)CCN(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-19-13(17)16-8-6-14(18,7-9-16)10-12(2)11-15(3)4/h18H,2,5-11H2,1,3-4H3
InChIKeyDKVZFNWQAKJEAJ-UHFFFAOYSA-N
XLogP1.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate (CID 19980407) is ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate is C=C(CN(C)C)CC1(O)CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is DKVZFNWQAKJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-13(17)16-8-6-14(18,7-9-16)10-12(2)11-15(3)4/h18H,2,5-11H2,1,3-4H3.
What are the key properties of ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate?
ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(dimethylamino)methyl]prop-2-enyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 19980407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).