ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate

C18H28N2O2 — CID 6422169

IUPACethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CN(C)CCC1NC(C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-5-22-17(21)18(3)13-20(4)12-11-16(18)19-14(2)15-9-7-6-8-10-15/h6-10,14,16,19H,5,11-13H2,1-4H3
InChIKeyHNFQFBRGGFJXCF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.61
Rot. Bonds5

About ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate

ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate (PubChem CID 6422169) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate
PubChem CID6422169
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CN(C)CCC1NC(C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-5-22-17(21)18(3)13-20(4)12-11-16(18)19-14(2)15-9-7-6-8-10-15/h6-10,14,16,19H,5,11-13H2,1-4H3
InChIKeyHNFQFBRGGFJXCF-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(1R)-1-phenylethyl]amino]piperidine-3-carboxylic acid
CID 123683787
tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
tert-butyl (4R)-3,3-difluoro-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 122445238
tert-butyl 3,3-difluoro-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 145134217
ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
CID 95328331
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
CID 109020253
ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate
CID 15577140

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate (CID 6422169) is ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate is CCOC(=O)C1(C)CN(C)CCC1NC(C)c1ccccc1.
What is the InChIKey of ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate?
The InChIKey is HNFQFBRGGFJXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-17(21)18(3)13-20(4)12-11-16(18)19-14(2)15-9-7-6-8-10-15/h6-10,14,16,19H,5,11-13H2,1-4H3.
What are the key properties of ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate?
ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-4-(1-phenylethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 6422169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).