(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine

C22H29N — CID 44563173

IUPAC(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
SMILESc1ccc(CCC[C@H]2CCC[C@@H](CCc3ccccc3)N2)cc1
InChIInChI=1S/C22H29N/c1-3-9-19(10-4-1)13-7-14-21-15-8-16-22(23-21)18-17-20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21-,22-/m0/s1
InChIKeyIRUNRQBPUVWDKY-VXKWHMMOSA-N
MW307.48 g/mol
LogP5.15
Rot. Bonds7

About (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine

(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine (PubChem CID 44563173) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
PubChem CID44563173
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
SMILESc1ccc(CCC[C@H]2CCC[C@@H](CCc3ccccc3)N2)cc1
InChIInChI=1S/C22H29N/c1-3-9-19(10-4-1)13-7-14-21-15-8-16-22(23-21)18-17-20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21-,22-/m0/s1
InChIKeyIRUNRQBPUVWDKY-VXKWHMMOSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250
(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine
CID 69202379
2-phenylethylcyclooctane
CID 54073487
4-cyclopropylbutylbenzene
CID 10261592
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
CID 70079298
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035
4-phenylbutylbenzene
CID 141301927
5-cyclopropylpentylbenzene
CID 91089836
5-methyl-2-(2-phenylethyl)piperidine
CID 81320090

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine?
The IUPAC name of (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine (CID 44563173) is (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine.
What is the SMILES notation for (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine?
The canonical SMILES for (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine is c1ccc(CCC[C@H]2CCC[C@@H](CCc3ccccc3)N2)cc1.
What is the InChIKey of (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine?
The InChIKey is IRUNRQBPUVWDKY-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H29N/c1-3-9-19(10-4-1)13-7-14-21-15-8-16-22(23-21)18-17-20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21-,22-/m0/s1.
What are the key properties of (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine?
(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine has a molecular weight of 307.48 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine is sourced from PubChem (CID 44563173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).