4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol

C24H25N7O — CID 648186

IUPAC4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N7O/c32-22-10-8-21(9-11-22)29-13-15-30(16-14-29)23(20-7-4-12-25-17-20)24-26-27-28-31(24)18-19-5-2-1-3-6-19/h1-12,17,23,32H,13-16,18H2
InChIKeyWOQYOYMEAOIFKO-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.73
Rot. Bonds6

About 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol

4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol (PubChem CID 648186) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol
PubChem CID648186
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N7O/c32-22-10-8-21(9-11-22)29-13-15-30(16-14-29)23(20-7-4-12-25-17-20)24-26-27-28-31(24)18-19-5-2-1-3-6-19/h1-12,17,23,32H,13-16,18H2
InChIKeyWOQYOYMEAOIFKO-UHFFFAOYSA-N
XLogP2.73
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol (CID 648186) is 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol?
The InChIKey is WOQYOYMEAOIFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c32-22-10-8-21(9-11-22)29-13-15-30(16-14-29)23(20-7-4-12-25-17-20)24-26-27-28-31(24)18-19-5-2-1-3-6-19/h1-12,17,23,32H,13-16,18H2.
What are the key properties of 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol?
4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol has a molecular weight of 427.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 648186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).