1-[(4-prop-2-enoxyphenyl)methyl]piperidine

C15H21NO — CID 2281055

IUPAC1-[(4-prop-2-enoxyphenyl)methyl]piperidine
SMILESC=CCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-12-17-15-8-6-14(7-9-15)13-16-10-4-3-5-11-16/h2,6-9H,1,3-5,10-13H2
InChIKeyWPQWPTKQCHKZMP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds5

About 1-[(4-prop-2-enoxyphenyl)methyl]piperidine

1-[(4-prop-2-enoxyphenyl)methyl]piperidine (PubChem CID 2281055) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(4-prop-2-enoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-prop-2-enoxyphenyl)methyl]piperidine
PubChem CID2281055
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(4-prop-2-enoxyphenyl)methyl]piperidine
SMILESC=CCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-12-17-15-8-6-14(7-9-15)13-16-10-4-3-5-11-16/h2,6-9H,1,3-5,10-13H2
InChIKeyWPQWPTKQCHKZMP-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
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

1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine
CID 23312445
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
CID 25267143
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799
2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
CID 2294860
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590

Frequently Asked Questions

What is the IUPAC name of 1-[(4-prop-2-enoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(4-prop-2-enoxyphenyl)methyl]piperidine (CID 2281055) is 1-[(4-prop-2-enoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(4-prop-2-enoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(4-prop-2-enoxyphenyl)methyl]piperidine is C=CCOc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[(4-prop-2-enoxyphenyl)methyl]piperidine?
The InChIKey is WPQWPTKQCHKZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12-17-15-8-6-14(7-9-15)13-16-10-4-3-5-11-16/h2,6-9H,1,3-5,10-13H2.
What are the key properties of 1-[(4-prop-2-enoxyphenyl)methyl]piperidine?
1-[(4-prop-2-enoxyphenyl)methyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-prop-2-enoxyphenyl)methyl]piperidine is sourced from PubChem (CID 2281055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).