[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride

C14H20ClNO2 — CID 3043901

IUPAC[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride
SMILESCC(=O)O[C@H]1CN(C)CC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11(16)17-14-10-15(2)9-8-13(14)12-6-4-3-5-7-12;/h3-7,13-14H,8-10H2,1-2H3;1H/t13-,14+;/m1./s1
InChIKeyYTBRCDIZLLUWNP-DFQHDRSWSA-N
MW269.77 g/mol
LogP2.46
Rot. Bonds2

About [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride

[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride (PubChem CID 3043901) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride.

Molecular Properties

Compound Name[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride
PubChem CID3043901
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride
SMILESCC(=O)O[C@H]1CN(C)CC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11(16)17-14-10-15(2)9-8-13(14)12-6-4-3-5-7-12;/h3-7,13-14H,8-10H2,1-2H3;1H/t13-,14+;/m1./s1
InChIKeyYTBRCDIZLLUWNP-DFQHDRSWSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] 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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride?
The IUPAC name of [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride (CID 3043901) is [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride.
What is the SMILES notation for [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride?
The canonical SMILES for [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride is CC(=O)O[C@H]1CN(C)CC[C@@H]1c1ccccc1.Cl.
What is the InChIKey of [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride?
The InChIKey is YTBRCDIZLLUWNP-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-11(16)17-14-10-15(2)9-8-13(14)12-6-4-3-5-7-12;/h3-7,13-14H,8-10H2,1-2H3;1H/t13-,14+;/m1./s1.
What are the key properties of [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride?
[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride is sourced from PubChem (CID 3043901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).