1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine

C16H19N3O — CID 135385042

IUPAC1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
SMILESc1cncc(Oc2cccc(CN3CCNCC3)c2)c1
InChIInChI=1S/C16H19N3O/c1-3-14(13-19-9-7-17-8-10-19)11-15(4-1)20-16-5-2-6-18-12-16/h1-6,11-12,17H,7-10,13H2
InChIKeyZHDJXADDXAVCTD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.28
Rot. Bonds4

About 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine

1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine (PubChem CID 135385042) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
PubChem CID135385042
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
SMILESc1cncc(Oc2cccc(CN3CCNCC3)c2)c1
InChIInChI=1S/C16H19N3O/c1-3-14(13-19-9-7-17-8-10-19)11-15(4-1)20-16-5-2-6-18-12-16/h1-6,11-12,17H,7-10,13H2
InChIKeyZHDJXADDXAVCTD-UHFFFAOYSA-N
XLogP2.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
tert-butyl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate;1-[(3-phenoxyphenyl)methyl]piperazine
CID 157205694
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine (CID 135385042) is 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine is c1cncc(Oc2cccc(CN3CCNCC3)c2)c1.
What is the InChIKey of 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine?
The InChIKey is ZHDJXADDXAVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-14(13-19-9-7-17-8-10-19)11-15(4-1)20-16-5-2-6-18-12-16/h1-6,11-12,17H,7-10,13H2.
What are the key properties of 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine?
1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine has a molecular weight of 269.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine is sourced from PubChem (CID 135385042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).