ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate

C19H29NO4 — CID 23960975

IUPACethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H29NO4/c1-5-24-19(21)16-8-10-20(11-9-16)14(2)12-15-6-7-17(22-3)18(13-15)23-4/h6-7,13-14,16H,5,8-12H2,1-4H3
InChIKeyOAPKAYKPBFVVIO-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.91
Rot. Bonds7

About ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate

ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate (PubChem CID 23960975) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
PubChem CID23960975
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H29NO4/c1-5-24-19(21)16-8-10-20(11-9-16)14(2)12-15-6-7-17(22-3)18(13-15)23-4/h6-7,13-14,16H,5,8-12H2,1-4H3
InChIKeyOAPKAYKPBFVVIO-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157654
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
CID 30982621
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
CID 79414013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate (CID 23960975) is ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate?
The InChIKey is OAPKAYKPBFVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-24-19(21)16-8-10-20(11-9-16)14(2)12-15-6-7-17(22-3)18(13-15)23-4/h6-7,13-14,16H,5,8-12H2,1-4H3.
What are the key properties of ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 23960975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).