ethyl 2-piperidin-4-ylacetate;hydrochloride

C9H18ClNO2 — CID 45358839

IUPACethyl 2-piperidin-4-ylacetate;hydrochloride
SMILESCCOC(=O)CC1CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H
InChIKeyRBESFTPUTXOFCD-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-piperidin-4-ylacetate;hydrochloride

ethyl 2-piperidin-4-ylacetate;hydrochloride (PubChem CID 45358839) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is ethyl 2-piperidin-4-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-piperidin-4-ylacetate;hydrochloride
PubChem CID45358839
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nameethyl 2-piperidin-4-ylacetate;hydrochloride
SMILESCCOC(=O)CC1CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H
InChIKeyRBESFTPUTXOFCD-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-piperidin-4-ylacetate;hydrochloride (CID 45358839) is ethyl 2-piperidin-4-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-piperidin-4-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-piperidin-4-ylacetate;hydrochloride is CCOC(=O)CC1CCNCC1.Cl.
What is the InChIKey of ethyl 2-piperidin-4-ylacetate;hydrochloride?
The InChIKey is RBESFTPUTXOFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H.
What are the key properties of ethyl 2-piperidin-4-ylacetate;hydrochloride?
ethyl 2-piperidin-4-ylacetate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-ylacetate;hydrochloride is sourced from PubChem (CID 45358839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).