2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine

C14H23N5 — CID 59777044

IUPAC2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine
SMILESCN1CCN(CCc2ccc(N=C(N)N)cc2)CC1
InChIInChI=1S/C14H23N5/c1-18-8-10-19(11-9-18)7-6-12-2-4-13(5-3-12)17-14(15)16/h2-5H,6-11H2,1H3,(H4,15,16,17)
InChIKeyXCIDKJJHYAZJMM-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.38
Rot. Bonds4

About 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine (PubChem CID 59777044) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine
PubChem CID59777044
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine
SMILESCN1CCN(CCc2ccc(N=C(N)N)cc2)CC1
InChIInChI=1S/C14H23N5/c1-18-8-10-19(11-9-18)7-6-12-2-4-13(5-3-12)17-14(15)16/h2-5H,6-11H2,1H3,(H4,15,16,17)
InChIKeyXCIDKJJHYAZJMM-UHFFFAOYSA-N
XLogP0.38
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
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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Related Compounds

1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
ethyl 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-oxoacetate
CID 117489749
ethyl 2-hydroxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]acetate
CID 117491682
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
4-[2-(4-ethylpiperazin-1-yl)ethyl]phenol
CID 82187948
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
CID 117485780
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 143229247
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine?
The IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine (CID 59777044) is 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine?
The canonical SMILES for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine is CN1CCN(CCc2ccc(N=C(N)N)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine?
The InChIKey is XCIDKJJHYAZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-8-10-19(11-9-18)7-6-12-2-4-13(5-3-12)17-14(15)16/h2-5H,6-11H2,1H3,(H4,15,16,17).
What are the key properties of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine?
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine is sourced from PubChem (CID 59777044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).