N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine

C16H27N3 — CID 43281242

IUPACN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCCN1CCN(c2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C16H27N3/c1-4-18-9-11-19(12-10-18)16-7-5-15(6-8-16)13-17-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3
InChIKeyHULXHHJFLMJUDI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.33
Rot. Bonds5

About N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine

N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 43281242) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID43281242
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCCN1CCN(c2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C16H27N3/c1-4-18-9-11-19(12-10-18)16-7-5-15(6-8-16)13-17-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3
InChIKeyHULXHHJFLMJUDI-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 84753440
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721983
N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
CID 106913336
2-[[[4-(4-ethylpiperazin-1-yl)phenyl]methylamino]methyl]aniline
CID 83962235
sodium 4-(4-ethylpiperazin-1-yl)benzenethiolate
CID 163265369

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine (CID 43281242) is N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine is CCN1CCN(c2ccc(CNC(C)C)cc2)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is HULXHHJFLMJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-18-9-11-19(12-10-18)16-7-5-15(6-8-16)13-17-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43281242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).