methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate

C16H23NO3 — CID 60670101

IUPACmethyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCOc1ccccc1CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C16H23NO3/c1-3-20-15-7-5-4-6-14(15)12-17-10-8-13(9-11-17)16(18)19-2/h4-7,13H,3,8-12H2,1-2H3
InChIKeyPAWBFZSDBXXKJX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds5

About methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate

methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate (PubChem CID 60670101) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
PubChem CID60670101
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCOc1ccccc1CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C16H23NO3/c1-3-20-15-7-5-4-6-14(15)12-17-10-8-13(9-11-17)16(18)19-2/h4-7,13H,3,8-12H2,1-2H3
InChIKeyPAWBFZSDBXXKJX-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1080800
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328645
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
methyl 1-[N'-[2-(2-ethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254846
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
CID 2903679
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate (CID 60670101) is methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate is CCOc1ccccc1CN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is PAWBFZSDBXXKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15-7-5-4-6-14(15)12-17-10-8-13(9-11-17)16(18)19-2/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate?
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 60670101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).