1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine

C16H23NO2 — CID 27241782

IUPAC1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine
SMILESCOc1cccc(OC/C=C/CN2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-18-15-8-7-9-16(14-15)19-13-6-5-12-17-10-3-2-4-11-17/h5-9,14H,2-4,10-13H2,1H3/b6-5+
InChIKeyLXBMDIBNRWXDQE-AATRIKPKSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds6

About 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine

1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine (PubChem CID 27241782) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine
PubChem CID27241782
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine
SMILESCOc1cccc(OC/C=C/CN2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-18-15-8-7-9-16(14-15)19-13-6-5-12-17-10-3-2-4-11-17/h5-9,14H,2-4,10-13H2,1H3/b6-5+
InChIKeyLXBMDIBNRWXDQE-AATRIKPKSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
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2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine
CID 117269337
1-(3-methoxyphenyl)azepane
CID 57276431
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
CID 69041177
(E)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylbut-2-en-1-one
CID 166318709
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine?
The IUPAC name of 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine (CID 27241782) is 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine is COc1cccc(OC/C=C/CN2CCCCC2)c1.
What is the InChIKey of 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine?
The InChIKey is LXBMDIBNRWXDQE-AATRIKPKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-8-7-9-16(14-15)19-13-6-5-12-17-10-3-2-4-11-17/h5-9,14H,2-4,10-13H2,1H3/b6-5+.
What are the key properties of 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine?
1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine has a molecular weight of 261.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine is sourced from PubChem (CID 27241782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).