(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol

C25H27NO — CID 2734573

IUPAC(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C25H27NO/c27-25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24(21-13-5-1-6-14-21)26-19-11-4-12-20-26/h1-3,5-10,13-18,24,27H,4,11-12,19-20H2/t24-/m0/s1
InChIKeyBCFJVZGZDXPFBN-DEOSSOPVSA-N
MW357.50 g/mol
LogP5.15
Rot. Bonds5

About (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol

(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol (PubChem CID 2734573) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol
PubChem CID2734573
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C25H27NO/c27-25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24(21-13-5-1-6-14-21)26-19-11-4-12-20-26/h1-3,5-10,13-18,24,27H,4,11-12,19-20H2/t24-/m0/s1
InChIKeyBCFJVZGZDXPFBN-DEOSSOPVSA-N
XLogP5.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol?
The IUPAC name of (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol (CID 2734573) is (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol.
What is the SMILES notation for (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol?
The canonical SMILES for (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol is OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol?
The InChIKey is BCFJVZGZDXPFBN-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27NO/c27-25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24(21-13-5-1-6-14-21)26-19-11-4-12-20-26/h1-3,5-10,13-18,24,27H,4,11-12,19-20H2/t24-/m0/s1.
What are the key properties of (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol?
(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol has a molecular weight of 357.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol is sourced from PubChem (CID 2734573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).