2-(2-prop-2-enoxyethyl)piperidine;hydrochloride

C10H20ClNO — CID 53408893

IUPAC2-(2-prop-2-enoxyethyl)piperidine;hydrochloride
SMILESC=CCOCCC1CCCCN1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-2-8-12-9-6-10-5-3-4-7-11-10;/h2,10-11H,1,3-9H2;1H
InChIKeyBSASDBBKYXDCSN-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride

2-(2-prop-2-enoxyethyl)piperidine;hydrochloride (PubChem CID 53408893) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethyl)piperidine;hydrochloride
PubChem CID53408893
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-(2-prop-2-enoxyethyl)piperidine;hydrochloride
SMILESC=CCOCCC1CCCCN1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-2-8-12-9-6-10-5-3-4-7-11-10;/h2,10-11H,1,3-9H2;1H
InChIKeyBSASDBBKYXDCSN-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride?
The IUPAC name of 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride (CID 53408893) is 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride is C=CCOCCC1CCCCN1.Cl.
What is the InChIKey of 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride?
The InChIKey is BSASDBBKYXDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-2-8-12-9-6-10-5-3-4-7-11-10;/h2,10-11H,1,3-9H2;1H.
What are the key properties of 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride?
2-(2-prop-2-enoxyethyl)piperidine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 53408893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).