ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate

C16H24N2O3 — CID 2846531

IUPACethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-8-14(9-11-18)17-12-13-4-6-15(20-2)7-5-13/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyPLJZRYHXPKRQMG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds5

About ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate

ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate (PubChem CID 2846531) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
PubChem CID2846531
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-8-14(9-11-18)17-12-13-4-6-15(20-2)7-5-13/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyPLJZRYHXPKRQMG-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate
CID 25010865
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112860217
methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
CID 86843151
ethyl 4-[[N-ethyl-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329303
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861378
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-[[(4S)-1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]amino]piperidine-1-carboxylate
CID 42472873
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
ethyl 4-[[N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329394
ethyl 4-[[2-(4-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 46260353

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate (CID 2846531) is ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate?
The InChIKey is PLJZRYHXPKRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-8-14(9-11-18)17-12-13-4-6-15(20-2)7-5-13/h4-7,14,17H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2846531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).