methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate

C15H21NO2 — CID 118703296

IUPACmethyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)11-13-4-2-12(3-5-13)10-14-6-8-16-9-7-14/h2-5,14,16H,6-11H2,1H3
InChIKeyPCXHWNPMJGBOCY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate

methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate (PubChem CID 118703296) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
PubChem CID118703296
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)11-13-4-2-12(3-5-13)10-14-6-8-16-9-7-14/h2-5,14,16H,6-11H2,1H3
InChIKeyPCXHWNPMJGBOCY-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-(piperidin-4-ylmethyl)phenol
CID 17039495
methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride
CID 68928528
methyl 2-[(3S,4S)-4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetate
CID 90159565
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
N-(cyclopropylmethyl)-3-[4-(piperidin-4-ylmethyl)phenyl]propanamide;hydrochloride
CID 146064790
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate (CID 118703296) is methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate is COC(=O)Cc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate?
The InChIKey is PCXHWNPMJGBOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)11-13-4-2-12(3-5-13)10-14-6-8-16-9-7-14/h2-5,14,16H,6-11H2,1H3.
What are the key properties of methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate?
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate has a molecular weight of 247.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate is sourced from PubChem (CID 118703296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).