2-methyl-4-phenylpiperidine-2-carboxylic acid

C13H17NO2 — CID 117258341

IUPAC2-methyl-4-phenylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2)CCN1
InChIInChI=1S/C13H17NO2/c1-13(12(15)16)9-11(7-8-14-13)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChIKeyKUMJYXDJDNSFRN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-4-phenylpiperidine-2-carboxylic acid

2-methyl-4-phenylpiperidine-2-carboxylic acid (PubChem CID 117258341) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-4-phenylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-phenylpiperidine-2-carboxylic acid
PubChem CID117258341
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-4-phenylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2)CCN1
InChIInChI=1S/C13H17NO2/c1-13(12(15)16)9-11(7-8-14-13)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChIKeyKUMJYXDJDNSFRN-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylpiperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-4-phenylpiperidine-2-carboxylic acid (CID 117258341) is 2-methyl-4-phenylpiperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-4-phenylpiperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-4-phenylpiperidine-2-carboxylic acid is CC1(C(=O)O)CC(c2ccccc2)CCN1.
What is the InChIKey of 2-methyl-4-phenylpiperidine-2-carboxylic acid?
The InChIKey is KUMJYXDJDNSFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(12(15)16)9-11(7-8-14-13)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-4-phenylpiperidine-2-carboxylic acid?
2-methyl-4-phenylpiperidine-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylpiperidine-2-carboxylic acid is sourced from PubChem (CID 117258341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).