1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine

C23H29NO — CID 19022852

IUPAC1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine
SMILESC(=C/c1ccccc1)\COCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29NO/c1-3-8-21(9-4-1)12-7-19-25-20-23-14-17-24(18-15-23)16-13-22-10-5-2-6-11-22/h1-12,23H,13-20H2/b12-7+
InChIKeyTXKBPYNMEJESGE-KPKJPENVSA-N
MW335.49 g/mol
LogP4.67
Rot. Bonds8

About 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine

1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine (PubChem CID 19022852) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine
PubChem CID19022852
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine
SMILESC(=C/c1ccccc1)\COCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29NO/c1-3-8-21(9-4-1)12-7-19-25-20-23-14-17-24(18-15-23)16-13-22-10-5-2-6-11-22/h1-12,23H,13-20H2/b12-7+
InChIKeyTXKBPYNMEJESGE-KPKJPENVSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine
CID 44563685
4-Benzhydryloxymethyl-1-phenethyl-piperidine
CID 10524156
1-Benzyl-4-(4-phenylbutoxymethyl)piperidine;hydrochloride
CID 45262131
1-Benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride
CID 45262132
4-[(4-Fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride
CID 45262139
1-(Cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 45262178
1-Benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride
CID 45262192
1-Phenethyl-3-((Z)-styryl)-piperidine
CID 44285030
1-Benzyl-4-((E)-3-phenyl-allyloxymethyl)-piperidine
CID 9905222
1-Phenethyl-4-[2-(3-phenyl-prop-2-ynyloxy)-ethyl]-piperidine
CID 15229597
1-Benzyl-4-[(E)-3-(4-trifluoromethyl-phenyl)-allyloxymethyl]-piperidine
CID 44315579

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine?
The IUPAC name of 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine (CID 19022852) is 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine.
What is the SMILES notation for 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine?
The canonical SMILES for 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine is C(=C/c1ccccc1)\COCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine?
The InChIKey is TXKBPYNMEJESGE-KPKJPENVSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-8-21(9-4-1)12-7-19-25-20-23-14-17-24(18-15-23)16-13-22-10-5-2-6-11-22/h1-12,23H,13-20H2/b12-7+.
What are the key properties of 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine?
1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine has a molecular weight of 335.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-[[(E)-3-phenylprop-2-enoxy]methyl]piperidine is sourced from PubChem (CID 19022852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).