methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate

C14H19NO2 — CID 71405548

IUPACmethyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7H,2-3,8-11H2,1H3
InChIKeyFJUUNECMFNZACU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate

methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate (PubChem CID 71405548) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate
PubChem CID71405548
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7H,2-3,8-11H2,1H3
InChIKeyFJUUNECMFNZACU-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
methyl 2-[4-[(3-chloro-4-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]acetate
CID 84592690
methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate
CID 170835877
(2S)-2-(2,2-dimethylpropyl)-4-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 67128113
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
methyl 2-(4-chlorosulfanylphenyl)acetate
CID 143520088
methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
CID 82538034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate (CID 71405548) is methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate is COC(=O)Cc1ccc(CN2CCCC2)cc1.
What is the InChIKey of methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate?
The InChIKey is FJUUNECMFNZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7H,2-3,8-11H2,1H3.
What are the key properties of methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate?
methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate is sourced from PubChem (CID 71405548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).