ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate

C16H23NO3 — CID 110638519

IUPACethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(COc2cccc(C)c2)C1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)17-9-5-7-14(11-17)12-20-15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3
InChIKeyLXFZGCSNNAPDEI-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.24
Rot. Bonds4

About ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate

ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 110638519) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
PubChem CID110638519
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(COc2cccc(C)c2)C1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)17-9-5-7-14(11-17)12-20-15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3
InChIKeyLXFZGCSNNAPDEI-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 95872962
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70734020
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
1-[3-(aminomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 119464975
[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119068422
6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 51586614
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate (CID 110638519) is ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(COc2cccc(C)c2)C1.
What is the InChIKey of ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is LXFZGCSNNAPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-19-16(18)17-9-5-7-14(11-17)12-20-15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 110638519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).