4-[4-(4-ethylpiperazin-1-yl)butyl]aniline

C16H27N3 — CID 94274343

IUPAC4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
SMILESCCN1CCN(CCCCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H27N3/c1-2-18-11-13-19(14-12-18)10-4-3-5-15-6-8-16(17)9-7-15/h6-9H,2-5,10-14,17H2,1H3
InChIKeyBSWOJONUCFMFMV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

About 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline

4-[4-(4-ethylpiperazin-1-yl)butyl]aniline (PubChem CID 94274343) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline.

Molecular Properties

Compound Name4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
PubChem CID94274343
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
SMILESCCN1CCN(CCCCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H27N3/c1-2-18-11-13-19(14-12-18)10-4-3-5-15-6-8-16(17)9-7-15/h6-9H,2-5,10-14,17H2,1H3
InChIKeyBSWOJONUCFMFMV-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
4-[2-(4-ethylpiperazin-1-yl)ethyl]phenol
CID 82187948
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 113417575
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
4-[4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]butyl]aniline;dihydrochloride
CID 70024348
4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
CID 115342194
4-[[4-(10-methylundecyl)piperazin-1-yl]methyl]aniline
CID 155411570
2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 95441677
4-[3-(3,4-dimethoxypyrrolidin-1-yl)propyl]aniline
CID 103533938

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline?
The IUPAC name of 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline (CID 94274343) is 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline.
What is the SMILES notation for 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline?
The canonical SMILES for 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline is CCN1CCN(CCCCc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline?
The InChIKey is BSWOJONUCFMFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-18-11-13-19(14-12-18)10-4-3-5-15-6-8-16(17)9-7-15/h6-9H,2-5,10-14,17H2,1H3.
What are the key properties of 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline?
4-[4-(4-ethylpiperazin-1-yl)butyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylpiperazin-1-yl)butyl]aniline is sourced from PubChem (CID 94274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).