methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate

C21H32N2O3 — CID 19602873

IUPACmethyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C2CCN(CCC3CCNCC3)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-25-21(24)16-26-20-4-2-18(3-5-20)19-9-14-23(15-10-19)13-8-17-6-11-22-12-7-17/h2-5,17,19,22H,6-16H2,1H3
InChIKeyFSXHDKHVNSSFSQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.81
Rot. Bonds7

About methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate

methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate (PubChem CID 19602873) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate
PubChem CID19602873
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Namemethyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C2CCN(CCC3CCNCC3)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-25-21(24)16-26-20-4-2-18(3-5-20)19-9-14-23(15-10-19)13-8-17-6-11-22-12-7-17/h2-5,17,19,22H,6-16H2,1H3
InChIKeyFSXHDKHVNSSFSQ-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate (CID 19602873) is methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate is COC(=O)COc1ccc(C2CCN(CCC3CCNCC3)CC2)cc1.
What is the InChIKey of methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate?
The InChIKey is FSXHDKHVNSSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-21(24)16-26-20-4-2-18(3-5-20)19-9-14-23(15-10-19)13-8-17-6-11-22-12-7-17/h2-5,17,19,22H,6-16H2,1H3.
What are the key properties of methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate?
methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate has a molecular weight of 360.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenoxy]acetate is sourced from PubChem (CID 19602873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).