1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine

C17H25NO — CID 14658333

IUPAC1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine
SMILESC/C(=C\CN1CCCCC1)COCc1ccccc1
InChIInChI=1S/C17H25NO/c1-16(10-13-18-11-6-3-7-12-18)14-19-15-17-8-4-2-5-9-17/h2,4-5,8-10H,3,6-7,11-15H2,1H3/b16-10+
InChIKeyFLJGBMKIUBEUAV-MHWRWJLKSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds6

About 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine

1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine (PubChem CID 14658333) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine
PubChem CID14658333
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine
SMILESC/C(=C\CN1CCCCC1)COCc1ccccc1
InChIInChI=1S/C17H25NO/c1-16(10-13-18-11-6-3-7-12-18)14-19-15-17-8-4-2-5-9-17/h2,4-5,8-10H,3,6-7,11-15H2,1H3/b16-10+
InChIKeyFLJGBMKIUBEUAV-MHWRWJLKSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3103
Phendimetrazine
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Diphenylpyraline Hydrochloride
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Bontril
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1-(3-(3-Phenylpropoxy)propyl)piperidine
CID 9903343
2-(4-(Benzyloxy)piperidin-1-yl)-N-methylethanamine
CID 53868701
Ethylbenzhydramine
CID 12552
1,4-Bis[2-(benzyloxy)ethyl]piperazine
CID 2973061
Hepzidine
CID 70593
4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
CID 16807026
CID 16807026

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine?
The IUPAC name of 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine (CID 14658333) is 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine is C/C(=C\CN1CCCCC1)COCc1ccccc1.
What is the InChIKey of 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine?
The InChIKey is FLJGBMKIUBEUAV-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(10-13-18-11-6-3-7-12-18)14-19-15-17-8-4-2-5-9-17/h2,4-5,8-10H,3,6-7,11-15H2,1H3/b16-10+.
What are the key properties of 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine?
1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]piperidine is sourced from PubChem (CID 14658333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).