(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride

C13H18ClNO2 — CID 178190208

IUPAC(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
SMILESCN1CC[C@@H](c2ccccc2)C[C@H]1C(=O)O.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-14-8-7-11(9-12(14)13(15)16)10-5-3-2-4-6-10;/h2-6,11-12H,7-9H2,1H3,(H,15,16);1H/t11-,12+;/m1./s1
InChIKeyUBICJZSLNDLMSB-LYCTWNKOSA-N
MW255.75 g/mol
LogP2.37
Rot. Bonds2

About (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride

(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride (PubChem CID 178190208) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
PubChem CID178190208
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
SMILESCN1CC[C@@H](c2ccccc2)C[C@H]1C(=O)O.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-14-8-7-11(9-12(14)13(15)16)10-5-3-2-4-6-10;/h2-6,11-12H,7-9H2,1H3,(H,15,16);1H/t11-,12+;/m1./s1
InChIKeyUBICJZSLNDLMSB-LYCTWNKOSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride (CID 178190208) is (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride is CN1CC[C@@H](c2ccccc2)C[C@H]1C(=O)O.Cl.
What is the InChIKey of (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is UBICJZSLNDLMSB-LYCTWNKOSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-14-8-7-11(9-12(14)13(15)16)10-5-3-2-4-6-10;/h2-6,11-12H,7-9H2,1H3,(H,15,16);1H/t11-,12+;/m1./s1.
What are the key properties of (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride?
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 178190208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).