ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate

C17H25NO3 — CID 60670285

IUPACethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H25NO3/c1-4-21-17(19)14-7-9-18(10-8-14)12-15-11-13(2)5-6-16(15)20-3/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKeyLWKSIWBXXGJPCD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.78
Rot. Bonds5

About ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate (PubChem CID 60670285) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
PubChem CID60670285
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H25NO3/c1-4-21-17(19)14-7-9-18(10-8-14)12-15-11-13(2)5-6-16(15)20-3/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKeyLWKSIWBXXGJPCD-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
CID 77039199
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119
ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
CID 2903679
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
ethyl 1-[N-ethyl-N'-[2-(2-methoxy-5-methylphenyl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156538
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 87012554
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate (CID 60670285) is ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cc(C)ccc2OC)CC1.
What is the InChIKey of ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is LWKSIWBXXGJPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-21-17(19)14-7-9-18(10-8-14)12-15-11-13(2)5-6-16(15)20-3/h5-6,11,14H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 60670285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).