4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride

C14H20ClNO — CID 67125301

IUPAC4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride
SMILESCO/C=C(\c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-16-11-14(12-5-3-2-4-6-12)13-7-9-15-10-8-13;/h2-6,11,13,15H,7-10H2,1H3;1H/b14-11+;
InChIKeyYZSNKSMSMJLOKD-JHGYPSGKSA-N
MW253.77 g/mol
LogP3.10
Rot. Bonds3

About 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride

4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride (PubChem CID 67125301) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride
PubChem CID67125301
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride
SMILESCO/C=C(\c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-16-11-14(12-5-3-2-4-6-12)13-7-9-15-10-8-13;/h2-6,11,13,15H,7-10H2,1H3;1H/b14-11+;
InChIKeyYZSNKSMSMJLOKD-JHGYPSGKSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride?
The IUPAC name of 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride (CID 67125301) is 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride is CO/C=C(\c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride?
The InChIKey is YZSNKSMSMJLOKD-JHGYPSGKSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-16-11-14(12-5-3-2-4-6-12)13-7-9-15-10-8-13;/h2-6,11,13,15H,7-10H2,1H3;1H/b14-11+;.
What are the key properties of 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride?
4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride is sourced from PubChem (CID 67125301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).