(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid

C15H21NO2 — CID 86339150

IUPAC(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid
SMILESC[C@@H]1CN(C)C[C@@H](C)C1(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-11-9-16(3)10-12(2)15(11,14(17)18)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyYNNJWWJYJWTJTD-VXGBXAGGSA-N
MW247.34 g/mol
LogP2.23
Rot. Bonds2

About (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid

(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 86339150) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID86339150
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid
SMILESC[C@@H]1CN(C)C[C@@H](C)C1(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-11-9-16(3)10-12(2)15(11,14(17)18)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyYNNJWWJYJWTJTD-VXGBXAGGSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid (CID 86339150) is (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid is C[C@@H]1CN(C)C[C@@H](C)C1(C(=O)O)c1ccccc1.
What is the InChIKey of (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is YNNJWWJYJWTJTD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-9-16(3)10-12(2)15(11,14(17)18)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid?
(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 86339150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).