ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride

C10H18ClNO3 — CID 134280697

IUPACethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride
SMILESCCOC(=O)/C=C1/CCNCC1OC.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-3-14-10(12)6-8-4-5-11-7-9(8)13-2;/h6,9,11H,3-5,7H2,1-2H3;1H/b8-6-;
InChIKeyKHTVLOHDVUOZKR-PHZXCRFESA-N
MW235.71 g/mol
LogP0.91
Rot. Bonds3

About ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride

ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride (PubChem CID 134280697) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride
PubChem CID134280697
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Nameethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride
SMILESCCOC(=O)/C=C1/CCNCC1OC.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-3-14-10(12)6-8-4-5-11-7-9(8)13-2;/h6,9,11H,3-5,7H2,1-2H3;1H/b8-6-;
InChIKeyKHTVLOHDVUOZKR-PHZXCRFESA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride?
The IUPAC name of ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride (CID 134280697) is ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride.
What is the SMILES notation for ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride?
The canonical SMILES for ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride is CCOC(=O)/C=C1/CCNCC1OC.Cl.
What is the InChIKey of ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride?
The InChIKey is KHTVLOHDVUOZKR-PHZXCRFESA-N. The full InChI is InChI=1S/C10H17NO3.ClH/c1-3-14-10(12)6-8-4-5-11-7-9(8)13-2;/h6,9,11H,3-5,7H2,1-2H3;1H/b8-6-;.
What are the key properties of ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride?
ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate;hydrochloride is sourced from PubChem (CID 134280697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).