1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine

C16H18IN3 — CID 65477740

IUPAC1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESIc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H18IN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2
InChIKeyMWTMNQNIEJZHPA-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.01
Rot. Bonds3

About 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 65477740) has the molecular formula C16H18IN3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID65477740
Molecular FormulaC16H18IN3
Molecular Weight379.25 g/mol
Exact Mass379.05
IUPAC Name1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESIc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H18IN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2
InChIKeyMWTMNQNIEJZHPA-UHFFFAOYSA-N
XLogP3.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine (CID 65477740) is 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine is Ic1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MWTMNQNIEJZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2.
What are the key properties of 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 379.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 65477740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).