1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine

C22H23N3O — CID 4209261

IUPAC1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESc1ccc(Oc2cccc(C(c3cccnc3)N3CCNCC3)c2)cc1
InChIInChI=1S/C22H23N3O/c1-2-8-20(9-3-1)26-21-10-4-6-18(16-21)22(19-7-5-11-24-17-19)25-14-12-23-13-15-25/h1-11,16-17,22-23H,12-15H2
InChIKeySIUKRBRQANEZQO-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.87
Rot. Bonds5

About 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine

1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine (PubChem CID 4209261) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
PubChem CID4209261
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESc1ccc(Oc2cccc(C(c3cccnc3)N3CCNCC3)c2)cc1
InChIInChI=1S/C22H23N3O/c1-2-8-20(9-3-1)26-21-10-4-6-18(16-21)22(19-7-5-11-24-17-19)25-14-12-23-13-15-25/h1-11,16-17,22-23H,12-15H2
InChIKeySIUKRBRQANEZQO-UHFFFAOYSA-N
XLogP3.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane
CID 3745740
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperazine
CID 3909785
1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287676
3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
CID 3563133
1-[(3-phenoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3848563
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine (CID 4209261) is 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine is c1ccc(Oc2cccc(C(c3cccnc3)N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is SIUKRBRQANEZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-8-20(9-3-1)26-21-10-4-6-18(16-21)22(19-7-5-11-24-17-19)25-14-12-23-13-15-25/h1-11,16-17,22-23H,12-15H2.
What are the key properties of 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine?
1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 345.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 4209261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).