ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate

C17H26N2O2 — CID 60791020

IUPACethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-21-16(20)17(18-2)10-13-19(14-11-17)12-9-15-7-5-4-6-8-15/h4-8,18H,3,9-14H2,1-2H3
InChIKeyYWSAOKVLJUJCHY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.85
Rot. Bonds6

About ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate

ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 60791020) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID60791020
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-21-16(20)17(18-2)10-13-19(14-11-17)12-9-15-7-5-4-6-8-15/h4-8,18H,3,9-14H2,1-2H3
InChIKeyYWSAOKVLJUJCHY-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
CID 152760490
4-(cyclopropylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 60792929
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 25447850
methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate (CID 60791020) is ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(NC)CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is YWSAOKVLJUJCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-16(20)17(18-2)10-13-19(14-11-17)12-9-15-7-5-4-6-8-15/h4-8,18H,3,9-14H2,1-2H3.
What are the key properties of ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 60791020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).