3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride

C17H26ClNO3 — CID 138401109

IUPAC3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)COc1ccccc1.Cl
InChIInChI=1S/C17H25NO3.ClH/c1-15-8-5-6-11-18(15)12-7-13-20-17(19)14-21-16-9-3-2-4-10-16;/h2-4,9-10,15H,5-8,11-14H2,1H3;1H
InChIKeyFAQNOXOTNLHRGG-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.29
Rot. Bonds7

About 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride

3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride (PubChem CID 138401109) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
PubChem CID138401109
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)COc1ccccc1.Cl
InChIInChI=1S/C17H25NO3.ClH/c1-15-8-5-6-11-18(15)12-7-13-20-17(19)14-21-16-9-3-2-4-10-16;/h2-4,9-10,15H,5-8,11-14H2,1H3;1H
InChIKeyFAQNOXOTNLHRGG-UHFFFAOYSA-N
XLogP3.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;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

methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
CID 3051498
3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
CID 3051416
3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate;hydrochloride
CID 138401134
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
3-(2-methylpiperidin-1-yl)propyl 2-iodobenzoate;hydrochloride
CID 138401149
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
CID 3050997
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride (CID 138401109) is 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride is CC1CCCCN1CCCOC(=O)COc1ccccc1.Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride?
The InChIKey is FAQNOXOTNLHRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3.ClH/c1-15-8-5-6-11-18(15)12-7-13-20-17(19)14-21-16-9-3-2-4-10-16;/h2-4,9-10,15H,5-8,11-14H2,1H3;1H.
What are the key properties of 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride?
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride has a molecular weight of 327.85 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride is sourced from PubChem (CID 138401109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).