propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate

C16H23NO3 — CID 20544109

IUPACpropyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1(c2ccc(OC)cc2)CCNCC1
InChIInChI=1S/C16H23NO3/c1-3-12-20-15(18)16(8-10-17-11-9-16)13-4-6-14(19-2)7-5-13/h4-7,17H,3,8-12H2,1-2H3
InChIKeyWEEUIEKOEYFFKY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.27
Rot. Bonds5

About propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate

propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate (PubChem CID 20544109) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
PubChem CID20544109
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namepropyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1(c2ccc(OC)cc2)CCNCC1
InChIInChI=1S/C16H23NO3/c1-3-12-20-15(18)16(8-10-17-11-9-16)13-4-6-14(19-2)7-5-13/h4-7,17H,3,8-12H2,1-2H3
InChIKeyWEEUIEKOEYFFKY-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 112725171
(4-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;oxalic acid
CID 52942768
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
CID 20511851
propyl 1-[(4-methoxyphenyl)methylamino]sulfanylcyclopropane-1-carboxylate
CID 170101147
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
CID 52949668
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
tert-butyl 1-(4-methoxyphenyl)cyclopropane-1-carboperoxoate
CID 10539552
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929

Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate?
The IUPAC name of propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate (CID 20544109) is propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate.
What is the SMILES notation for propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate?
The canonical SMILES for propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate is CCCOC(=O)C1(c2ccc(OC)cc2)CCNCC1.
What is the InChIKey of propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate?
The InChIKey is WEEUIEKOEYFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-12-20-15(18)16(8-10-17-11-9-16)13-4-6-14(19-2)7-5-13/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate?
propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 20544109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).