(2R,6S)-1-pentyl-2,6-diphenylpiperidine

C22H29N — CID 132552857

IUPAC(2R,6S)-1-pentyl-2,6-diphenylpiperidine
SMILESCCCCCN1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1
InChIInChI=1S/C22H29N/c1-2-3-10-18-23-21(19-12-6-4-7-13-19)16-11-17-22(23)20-14-8-5-9-15-20/h4-9,12-15,21-22H,2-3,10-11,16-18H2,1H3/t21-,22+
InChIKeyRFKNIVGKTPOLRL-SZPZYZBQSA-N
MW307.48 g/mol
LogP6.15
Rot. Bonds6

About (2R,6S)-1-pentyl-2,6-diphenylpiperidine

(2R,6S)-1-pentyl-2,6-diphenylpiperidine (PubChem CID 132552857) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2R,6S)-1-pentyl-2,6-diphenylpiperidine.

Molecular Properties

Compound Name(2R,6S)-1-pentyl-2,6-diphenylpiperidine
PubChem CID132552857
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2R,6S)-1-pentyl-2,6-diphenylpiperidine
SMILESCCCCCN1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1
InChIInChI=1S/C22H29N/c1-2-3-10-18-23-21(19-12-6-4-7-13-19)16-11-17-22(23)20-14-8-5-9-15-20/h4-9,12-15,21-22H,2-3,10-11,16-18H2,1H3/t21-,22+
InChIKeyRFKNIVGKTPOLRL-SZPZYZBQSA-N
XLogP6.15
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 ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
1-butyl-2-phenylpiperidine
CID 10036306
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
(3R,5S,8aR)-5-pentyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10636009
(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine
CID 135077796
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
2-hexyl-6-phenylpiperidine
CID 102584089
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-pentyl-2,6-diphenylpiperidine?
The IUPAC name of (2R,6S)-1-pentyl-2,6-diphenylpiperidine (CID 132552857) is (2R,6S)-1-pentyl-2,6-diphenylpiperidine.
What is the SMILES notation for (2R,6S)-1-pentyl-2,6-diphenylpiperidine?
The canonical SMILES for (2R,6S)-1-pentyl-2,6-diphenylpiperidine is CCCCCN1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1.
What is the InChIKey of (2R,6S)-1-pentyl-2,6-diphenylpiperidine?
The InChIKey is RFKNIVGKTPOLRL-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H29N/c1-2-3-10-18-23-21(19-12-6-4-7-13-19)16-11-17-22(23)20-14-8-5-9-15-20/h4-9,12-15,21-22H,2-3,10-11,16-18H2,1H3/t21-,22+.
What are the key properties of (2R,6S)-1-pentyl-2,6-diphenylpiperidine?
(2R,6S)-1-pentyl-2,6-diphenylpiperidine has a molecular weight of 307.48 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-pentyl-2,6-diphenylpiperidine is sourced from PubChem (CID 132552857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).