(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine

C23H31NO — CID 122225055

IUPAC(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine
SMILESCC[C@@H](C[C@@H]1CCCCN1Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H31NO/c1-2-23(25-19-21-13-7-4-8-14-21)17-22-15-9-10-16-24(22)18-20-11-5-3-6-12-20/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3/t22-,23-/m0/s1
InChIKeyDUOZGPVEBPALMJ-GOTSBHOMSA-N
MW337.51 g/mol
LogP5.43
Rot. Bonds8

About (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine

(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine (PubChem CID 122225055) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine
PubChem CID122225055
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine
SMILESCC[C@@H](C[C@@H]1CCCCN1Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H31NO/c1-2-23(25-19-21-13-7-4-8-14-21)17-22-15-9-10-16-24(22)18-20-11-5-3-6-12-20/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3/t22-,23-/m0/s1
InChIKeyDUOZGPVEBPALMJ-GOTSBHOMSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine
CID 122225056
(2S)-1-benzyl-2-propylpiperidine
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3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine?
The IUPAC name of (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine (CID 122225055) is (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine.
What is the SMILES notation for (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine?
The canonical SMILES for (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine is CC[C@@H](C[C@@H]1CCCCN1Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine?
The InChIKey is DUOZGPVEBPALMJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-23(25-19-21-13-7-4-8-14-21)17-22-15-9-10-16-24(22)18-20-11-5-3-6-12-20/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3/t22-,23-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine?
(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine is sourced from PubChem (CID 122225055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).