ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate

C22H34N2O3 — CID 45234907

IUPACethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C22H34N2O3/c1-3-26-21(25)22(13-17-27-20-8-5-4-6-9-20)12-7-14-24(18-22)19-10-15-23(2)16-11-19/h4-6,8-9,19H,3,7,10-18H2,1-2H3
InChIKeyDAVHLFLXHIPEEW-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.19
Rot. Bonds7

About ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate

ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate (PubChem CID 45234907) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
PubChem CID45234907
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC Nameethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C22H34N2O3/c1-3-26-21(25)22(13-17-27-20-8-5-4-6-9-20)12-7-14-24(18-22)19-10-15-23(2)16-11-19/h4-6,8-9,19H,3,7,10-18H2,1-2H3
InChIKeyDAVHLFLXHIPEEW-UHFFFAOYSA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(oxan-4-yl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 42120534
ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
CID 28732842
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598
ethyl (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42311023
ethyl (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25453067
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42245389
ethyl (3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 25299134
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42460285

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate (CID 45234907) is ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate is CCOC(=O)C1(CCOc2ccccc2)CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The InChIKey is DAVHLFLXHIPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-26-21(25)22(13-17-27-20-8-5-4-6-9-20)12-7-14-24(18-22)19-10-15-23(2)16-11-19/h4-6,8-9,19H,3,7,10-18H2,1-2H3.
What are the key properties of ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate?
ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate has a molecular weight of 374.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 45234907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).