(2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine

C22H29N — CID 10470490

IUPAC(2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine
SMILESCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1
InChIInChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+
InChIKeyISVBJSRQEBWKPB-SZPZYZBQSA-N
MW307.48 g/mol
LogP5.10
Rot. Bonds6

About (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine

(2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine (PubChem CID 10470490) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine
PubChem CID10470490
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine
SMILESCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1
InChIInChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+
InChIKeyISVBJSRQEBWKPB-SZPZYZBQSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine?
The IUPAC name of (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine (CID 10470490) is (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine.
What is the SMILES notation for (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine?
The canonical SMILES for (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine is CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1.
What is the InChIKey of (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine?
The InChIKey is ISVBJSRQEBWKPB-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+.
What are the key properties of (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine?
(2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine has a molecular weight of 307.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-methyl-2,6-bis(2-phenylethyl)piperidine is sourced from PubChem (CID 10470490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).