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

C17H25NO — CID 14658364

IUPAC1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine
SMILESC[C@H](/C=C/N1CCCCC1)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/h2,4-5,8-10,13,16H,3,6-7,11-12,14-15H2,1H3/b13-10+/t16-/m1/s1
InChIKeyRIXRWLZPEJEVTK-QSOAKEGCSA-N
MW259.39 g/mol
LogP3.84
Rot. Bonds6

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

1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine (PubChem CID 14658364) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine
PubChem CID14658364
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine
SMILESC[C@H](/C=C/N1CCCCC1)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/h2,4-5,8-10,13,16H,3,6-7,11-12,14-15H2,1H3/b13-10+/t16-/m1/s1
InChIKeyRIXRWLZPEJEVTK-QSOAKEGCSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3103
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Bontril
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4-(Benzyloxy)piperidine
CID 3157460
Perastine
CID 411828
4-[(4-Fluorophenyl)(phenyl)methoxy]-1-methylpiperidine
CID 19874291
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
4-Benzyloxymethyl-piperidine
CID 6484121
1-(Phenylmethoxy)-4-piperidylbut-2-yne, chloride
CID 16192747
Phendimetrazine hydrochloride
CID 6437591
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794

Frequently Asked Questions

What is the IUPAC name of 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine?
The IUPAC name of 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine (CID 14658364) is 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine.
What is the SMILES notation for 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine?
The canonical SMILES for 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine is C[C@H](/C=C/N1CCCCC1)COCc1ccccc1.
What is the InChIKey of 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine?
The InChIKey is RIXRWLZPEJEVTK-QSOAKEGCSA-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/h2,4-5,8-10,13,16H,3,6-7,11-12,14-15H2,1H3/b13-10+/t16-/m1/s1.
What are the key properties of 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine?
1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,3R)-3-methyl-4-phenylmethoxybut-1-enyl]piperidine is sourced from PubChem (CID 14658364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).