N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide

C14H23N5 — CID 116512806

IUPACN-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
SMILESCCCN1CCN(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C14H23N5/c1-2-8-18-9-11-19(12-10-18)14(17-15)16-13-6-4-3-5-7-13/h3-7H,2,8-12,15H2,1H3,(H,16,17)
InChIKeyOUAWOPHZCAQNMZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.16
Rot. Bonds3

About N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide

N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide (PubChem CID 116512806) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
PubChem CID116512806
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
SMILESCCCN1CCN(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C14H23N5/c1-2-8-18-9-11-19(12-10-18)14(17-15)16-13-6-4-3-5-7-13/h3-7H,2,8-12,15H2,1H3,(H,16,17)
InChIKeyOUAWOPHZCAQNMZ-UHFFFAOYSA-N
XLogP1.16
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 62363809
N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
CID 116515163
N-amino-N'-phenylazocane-1-carboximidamide
CID 116513037
N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
CID 116512842
N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
CID 116513179
N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
CID 104883166
N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
CID 116514824
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 104883423
3-oxo-2-phenyl-3-(4-propylpiperazin-1-yl)propanethioamide
CID 62877558
N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 116512908

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide (CID 116512806) is N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide is CCCN1CCN(/C(=N/c2ccccc2)NN)CC1.
What is the InChIKey of N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide?
The InChIKey is OUAWOPHZCAQNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-8-18-9-11-19(12-10-18)14(17-15)16-13-6-4-3-5-7-13/h3-7H,2,8-12,15H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide?
N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 116512806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).