4-(4-chlorophenyl)-4-prop-2-enoxypiperidine

C14H18ClNO — CID 131863571

IUPAC4-(4-chlorophenyl)-4-prop-2-enoxypiperidine
SMILESC=CCOC1(c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C14H18ClNO/c1-2-11-17-14(7-9-16-10-8-14)12-3-5-13(15)6-4-12/h2-6,16H,1,7-11H2
InChIKeyLISLXIVFFCIVFX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.12
Rot. Bonds4

About 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine

4-(4-chlorophenyl)-4-prop-2-enoxypiperidine (PubChem CID 131863571) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-prop-2-enoxypiperidine
PubChem CID131863571
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-(4-chlorophenyl)-4-prop-2-enoxypiperidine
SMILESC=CCOC1(c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C14H18ClNO/c1-2-11-17-14(7-9-16-10-8-14)12-3-5-13(15)6-4-12/h2-6,16H,1,7-11H2
InChIKeyLISLXIVFFCIVFX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.12
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-(4-chlorophenyl)-4-prop-2-enoxypiperidine?
The IUPAC name of 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine (CID 131863571) is 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine is C=CCOC1(c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine?
The InChIKey is LISLXIVFFCIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-11-17-14(7-9-16-10-8-14)12-3-5-13(15)6-4-12/h2-6,16H,1,7-11H2.
What are the key properties of 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine?
4-(4-chlorophenyl)-4-prop-2-enoxypiperidine has a molecular weight of 251.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-prop-2-enoxypiperidine is sourced from PubChem (CID 131863571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).