[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate

C15H21NO3 — CID 46898261

IUPAC[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
SMILESCOc1ccc(CN2CCCC(OC(C)=O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-12(17)19-15-4-3-9-16(11-15)10-13-5-7-14(18-2)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUPKMHLUUFUAVKT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds4

About [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate

[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate (PubChem CID 46898261) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
PubChem CID46898261
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
SMILESCOc1ccc(CN2CCCC(OC(C)=O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-12(17)19-15-4-3-9-16(11-15)10-13-5-7-14(18-2)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUPKMHLUUFUAVKT-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 155160735
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
1-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]butan-1-one
CID 59730198
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate (CID 46898261) is [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate is COc1ccc(CN2CCCC(OC(C)=O)C2)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate?
The InChIKey is UPKMHLUUFUAVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(17)19-15-4-3-9-16(11-15)10-13-5-7-14(18-2)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate?
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate has a molecular weight of 263.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate is sourced from PubChem (CID 46898261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).