ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate

C18H27NO4 — CID 134109409

IUPACethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCCOc1ccc(CN2CCC(O)(C(=O)OCC)CC2)cc1
InChIInChI=1S/C18H27NO4/c1-3-13-23-16-7-5-15(6-8-16)14-19-11-9-18(21,10-12-19)17(20)22-4-2/h5-8,21H,3-4,9-14H2,1-2H3
InChIKeyIXQJKTWIIQXPFJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.37
Rot. Bonds7

About ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate

ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate (PubChem CID 134109409) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
PubChem CID134109409
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nameethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCCOc1ccc(CN2CCC(O)(C(=O)OCC)CC2)cc1
InChIInChI=1S/C18H27NO4/c1-3-13-23-16-7-5-15(6-8-16)14-19-11-9-18(21,10-12-19)17(20)22-4-2/h5-8,21H,3-4,9-14H2,1-2H3
InChIKeyIXQJKTWIIQXPFJ-UHFFFAOYSA-N
XLogP2.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
CID 136528260
N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine
CID 115304080
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
ethyl 1-benzyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate
CID 10906839
ethyl 1-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 70701251
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate
CID 25454150
ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 3754898
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120780403

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate (CID 134109409) is ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate is CCCOc1ccc(CN2CCC(O)(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is IXQJKTWIIQXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-13-23-16-7-5-15(6-8-16)14-19-11-9-18(21,10-12-19)17(20)22-4-2/h5-8,21H,3-4,9-14H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate?
ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 134109409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).