ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate

C18H27NO3 — CID 58376551

IUPACethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCC(C)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H27NO3/c1-4-22-18(20)11-16-8-5-14(2)12-19(16)13-15-6-9-17(21-3)10-7-15/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3
InChIKeyRRMVEIKTDXNIHX-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate

ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate (PubChem CID 58376551) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate
PubChem CID58376551
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCC(C)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H27NO3/c1-4-22-18(20)11-16-8-5-14(2)12-19(16)13-15-6-9-17(21-3)10-7-15/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3
InChIKeyRRMVEIKTDXNIHX-UHFFFAOYSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate (CID 58376551) is ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate is CCOC(=O)CC1CCC(C)CN1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate?
The InChIKey is RRMVEIKTDXNIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-22-18(20)11-16-8-5-14(2)12-19(16)13-15-6-9-17(21-3)10-7-15/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3.
What are the key properties of ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate?
ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate has a molecular weight of 305.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate is sourced from PubChem (CID 58376551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).