N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide

C14H23N5 — CID 116515177

IUPACN-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(=N/c2ccccc2)NN)CC1C
InChIInChI=1S/C14H23N5/c1-3-18-9-10-19(11-12(18)2)14(17-15)16-13-7-5-4-6-8-13/h4-8,12H,3,9-11,15H2,1-2H3,(H,16,17)
InChIKeyALLWKKYHFZNFTI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.16
Rot. Bonds2

About N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide

N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide (PubChem CID 116515177) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
PubChem CID116515177
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(=N/c2ccccc2)NN)CC1C
InChIInChI=1S/C14H23N5/c1-3-18-9-10-19(11-12(18)2)14(17-15)16-13-7-5-4-6-8-13/h4-8,12H,3,9-11,15H2,1-2H3,(H,16,17)
InChIKeyALLWKKYHFZNFTI-UHFFFAOYSA-N
XLogP1.16
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
CID 116512842
N-amino-4-ethyl-3-methyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 104886027
N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
CID 116515163
N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
CID 116514824
N-amino-N'-phenylazocane-1-carboximidamide
CID 116513037
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
CID 63605316
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydrazinyl-5-methylphenyl)methanone
CID 63603579
(4-ethyl-3-methylpiperazin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103846837
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 63614567
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636

Frequently Asked Questions

What is the IUPAC name of N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide (CID 116515177) is N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide is CCN1CCN(/C(=N/c2ccccc2)NN)CC1C.
What is the InChIKey of N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide?
The InChIKey is ALLWKKYHFZNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-18-9-10-19(11-12(18)2)14(17-15)16-13-7-5-4-6-8-13/h4-8,12H,3,9-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide?
N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 116515177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).