3-(pent-4-enoxymethyl)piperidine;hydrochloride

C11H22ClNO — CID 53409456

IUPAC3-(pent-4-enoxymethyl)piperidine;hydrochloride
SMILESC=CCCCOCC1CCCNC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-3-4-8-13-10-11-6-5-7-12-9-11;/h2,11-12H,1,3-10H2;1H
InChIKeyDPCBYTXZGMMGDA-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.39
Rot. Bonds6

About 3-(pent-4-enoxymethyl)piperidine;hydrochloride

3-(pent-4-enoxymethyl)piperidine;hydrochloride (PubChem CID 53409456) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-(pent-4-enoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(pent-4-enoxymethyl)piperidine;hydrochloride
PubChem CID53409456
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-(pent-4-enoxymethyl)piperidine;hydrochloride
SMILESC=CCCCOCC1CCCNC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-3-4-8-13-10-11-6-5-7-12-9-11;/h2,11-12H,1,3-10H2;1H
InChIKeyDPCBYTXZGMMGDA-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.39
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 3-(pent-4-enoxymethyl)piperidine;hydrochloride?
The IUPAC name of 3-(pent-4-enoxymethyl)piperidine;hydrochloride (CID 53409456) is 3-(pent-4-enoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(pent-4-enoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 3-(pent-4-enoxymethyl)piperidine;hydrochloride is C=CCCCOCC1CCCNC1.Cl.
What is the InChIKey of 3-(pent-4-enoxymethyl)piperidine;hydrochloride?
The InChIKey is DPCBYTXZGMMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-2-3-4-8-13-10-11-6-5-7-12-9-11;/h2,11-12H,1,3-10H2;1H.
What are the key properties of 3-(pent-4-enoxymethyl)piperidine;hydrochloride?
3-(pent-4-enoxymethyl)piperidine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pent-4-enoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 53409456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).