methyl 5-phenylpiperidine-3-carboxylate;hydrochloride

C13H18ClNO2 — CID 91798805

IUPACmethyl 5-phenylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(c2ccccc2)C1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3;1H
InChIKeyCQJXDJVQUTWQOJ-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.97
Rot. Bonds2

About methyl 5-phenylpiperidine-3-carboxylate;hydrochloride

methyl 5-phenylpiperidine-3-carboxylate;hydrochloride (PubChem CID 91798805) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is methyl 5-phenylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-phenylpiperidine-3-carboxylate;hydrochloride
PubChem CID91798805
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Namemethyl 5-phenylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(c2ccccc2)C1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3;1H
InChIKeyCQJXDJVQUTWQOJ-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-phenylpiperidine-3-carboxylate;hydrochloride (CID 91798805) is methyl 5-phenylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-phenylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-phenylpiperidine-3-carboxylate;hydrochloride is COC(=O)C1CNCC(c2ccccc2)C1.Cl.
What is the InChIKey of methyl 5-phenylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is CQJXDJVQUTWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3;1H.
What are the key properties of methyl 5-phenylpiperidine-3-carboxylate;hydrochloride?
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 91798805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).