(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine

C20H23N5O2 — CID 122182821

IUPAC(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
SMILESCOc1ccc(-n2cnnn2)cc1CO[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H23N5O2/c1-26-18-10-9-17(25-14-22-23-24-25)12-16(18)13-27-19-8-5-11-21-20(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,19-21H,5,8,11,13H2,1H3/t19-,20-/m0/s1
InChIKeyUEJRZPRARNAEGQ-PMACEKPBSA-N
MW365.44 g/mol
LogP2.68
Rot. Bonds6

About (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine

(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine (PubChem CID 122182821) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
PubChem CID122182821
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
SMILESCOc1ccc(-n2cnnn2)cc1CO[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H23N5O2/c1-26-18-10-9-17(25-14-22-23-24-25)12-16(18)13-27-19-8-5-11-21-20(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,19-21H,5,8,11,13H2,1H3/t19-,20-/m0/s1
InChIKeyUEJRZPRARNAEGQ-PMACEKPBSA-N
XLogP2.68
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine?
The IUPAC name of (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine (CID 122182821) is (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine.
What is the SMILES notation for (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine?
The canonical SMILES for (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine is COc1ccc(-n2cnnn2)cc1CO[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine?
The InChIKey is UEJRZPRARNAEGQ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-18-10-9-17(25-14-22-23-24-25)12-16(18)13-27-19-8-5-11-21-20(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,19-21H,5,8,11,13H2,1H3/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine?
(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine has a molecular weight of 365.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine is sourced from PubChem (CID 122182821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).