4-(2-pent-4-enoxyethyl)piperidine;hydrochloride

C12H24ClNO — CID 53409993

IUPAC4-(2-pent-4-enoxyethyl)piperidine;hydrochloride
SMILESC=CCCCOCCC1CCNCC1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12;/h2,12-13H,1,3-11H2;1H
InChIKeyGNOCNBPQANEGPW-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.78
Rot. Bonds7

About 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride

4-(2-pent-4-enoxyethyl)piperidine;hydrochloride (PubChem CID 53409993) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-pent-4-enoxyethyl)piperidine;hydrochloride
PubChem CID53409993
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-(2-pent-4-enoxyethyl)piperidine;hydrochloride
SMILESC=CCCCOCCC1CCNCC1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12;/h2,12-13H,1,3-11H2;1H
InChIKeyGNOCNBPQANEGPW-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.78
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 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride (CID 53409993) is 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride is C=CCCCOCCC1CCNCC1.Cl.
What is the InChIKey of 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
The InChIKey is GNOCNBPQANEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12;/h2,12-13H,1,3-11H2;1H.
What are the key properties of 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
4-(2-pent-4-enoxyethyl)piperidine;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pent-4-enoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 53409993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).