4-methyl-4-prop-2-enoxypiperidine;hydrochloride

C9H18ClNO — CID 86710776

IUPAC4-methyl-4-prop-2-enoxypiperidine;hydrochloride
SMILESC=CCOC1(C)CCNCC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-8-11-9(2)4-6-10-7-5-9;/h3,10H,1,4-8H2,2H3;1H
InChIKeyGKMRGFYHPWRUPG-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-4-prop-2-enoxypiperidine;hydrochloride

4-methyl-4-prop-2-enoxypiperidine;hydrochloride (PubChem CID 86710776) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enoxypiperidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-4-prop-2-enoxypiperidine;hydrochloride
PubChem CID86710776
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-methyl-4-prop-2-enoxypiperidine;hydrochloride
SMILESC=CCOC1(C)CCNCC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-8-11-9(2)4-6-10-7-5-9;/h3,10H,1,4-8H2,2H3;1H
InChIKeyGKMRGFYHPWRUPG-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-prop-2-enoxypiperidine;hydrochloride?
The IUPAC name of 4-methyl-4-prop-2-enoxypiperidine;hydrochloride (CID 86710776) is 4-methyl-4-prop-2-enoxypiperidine;hydrochloride.
What is the SMILES notation for 4-methyl-4-prop-2-enoxypiperidine;hydrochloride?
The canonical SMILES for 4-methyl-4-prop-2-enoxypiperidine;hydrochloride is C=CCOC1(C)CCNCC1.Cl.
What is the InChIKey of 4-methyl-4-prop-2-enoxypiperidine;hydrochloride?
The InChIKey is GKMRGFYHPWRUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-3-8-11-9(2)4-6-10-7-5-9;/h3,10H,1,4-8H2,2H3;1H.
What are the key properties of 4-methyl-4-prop-2-enoxypiperidine;hydrochloride?
4-methyl-4-prop-2-enoxypiperidine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-2-enoxypiperidine;hydrochloride is sourced from PubChem (CID 86710776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).