methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride

C16H24ClNO3 — CID 68928528

IUPACmethyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1cccc(COCC2CCNCC2)c1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-19-16(18)10-14-3-2-4-15(9-14)12-20-11-13-5-7-17-8-6-13;/h2-4,9,13,17H,5-8,10-12H2,1H3;1H
InChIKeyHKDIHYYQBCJVKX-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.34
Rot. Bonds6

About methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride

methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride (PubChem CID 68928528) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride
PubChem CID68928528
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Namemethyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1cccc(COCC2CCNCC2)c1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-19-16(18)10-14-3-2-4-15(9-14)12-20-11-13-5-7-17-8-6-13;/h2-4,9,13,17H,5-8,10-12H2,1H3;1H
InChIKeyHKDIHYYQBCJVKX-UHFFFAOYSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
4-[(3,5-dimethylphenyl)methoxymethyl]piperidine
CID 62340390
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
CID 171364018
4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71636294

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride (CID 68928528) is methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride is COC(=O)Cc1cccc(COCC2CCNCC2)c1.Cl.
What is the InChIKey of methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride?
The InChIKey is HKDIHYYQBCJVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-19-16(18)10-14-3-2-4-15(9-14)12-20-11-13-5-7-17-8-6-13;/h2-4,9,13,17H,5-8,10-12H2,1H3;1H.
What are the key properties of methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride?
methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride is sourced from PubChem (CID 68928528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).