methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate

C15H21ClN2O3 — CID 47014080

IUPACmethyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O3/c1-20-15(19)12-18-8-6-17(7-9-18)10-11-21-14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3
InChIKeyYXBSTTYZNSVUOE-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.51
Rot. Bonds6

About methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate

methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate (PubChem CID 47014080) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
PubChem CID47014080
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O3/c1-20-15(19)12-18-8-6-17(7-9-18)10-11-21-14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3
InChIKeyYXBSTTYZNSVUOE-UHFFFAOYSA-N
XLogP1.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24996849
3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550
N-[1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 86977373
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 9260289

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate (CID 47014080) is methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate?
The InChIKey is YXBSTTYZNSVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-15(19)12-18-8-6-17(7-9-18)10-11-21-14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3.
What are the key properties of methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate?
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate has a molecular weight of 312.80 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 47014080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).