N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide

C26H30BrN3O — CID 45265032

IUPACN-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide
SMILESBr.c1ccc(N/C(=N\c2ccc(OCCN3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O.BrH/c1-4-10-22(11-5-1)26(27-23-12-6-2-7-13-23)28-24-14-16-25(17-15-24)30-21-20-29-18-8-3-9-19-29;/h1-2,4-7,10-17H,3,8-9,18-21H2,(H,27,28);1H
InChIKeyRKHHOGBFYRNUKE-UHFFFAOYSA-N
MW480.45 g/mol
LogP6.32
Rot. Bonds7

About N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide

N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide (PubChem CID 45265032) has the molecular formula C26H30BrN3O and a molecular weight of 480.45 g/mol. Its IUPAC name is N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide.

Molecular Properties

Compound NameN-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide
PubChem CID45265032
Molecular FormulaC26H30BrN3O
Molecular Weight480.45 g/mol
Exact Mass479.16
IUPAC NameN-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide
SMILESBr.c1ccc(N/C(=N\c2ccc(OCCN3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O.BrH/c1-4-10-22(11-5-1)26(27-23-12-6-2-7-13-23)28-24-14-16-25(17-15-24)30-21-20-29-18-8-3-9-19-29;/h1-2,4-7,10-17H,3,8-9,18-21H2,(H,27,28);1H
InChIKeyRKHHOGBFYRNUKE-UHFFFAOYSA-N
XLogP6.32
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide?
The IUPAC name of N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide (CID 45265032) is N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide.
What is the SMILES notation for N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide?
The canonical SMILES for N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide is Br.c1ccc(N/C(=N\c2ccc(OCCN3CCCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide?
The InChIKey is RKHHOGBFYRNUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O.BrH/c1-4-10-22(11-5-1)26(27-23-12-6-2-7-13-23)28-24-14-16-25(17-15-24)30-21-20-29-18-8-3-9-19-29;/h1-2,4-7,10-17H,3,8-9,18-21H2,(H,27,28);1H.
What are the key properties of N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide?
N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide has a molecular weight of 480.45 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide;hydrobromide is sourced from PubChem (CID 45265032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).