3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline

C16H27N3 — CID 115342123

IUPAC3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
SMILESCCN1CCN(CCCc2cccc(N)c2)CC1C
InChIInChI=1S/C16H27N3/c1-3-19-11-10-18(13-14(19)2)9-5-7-15-6-4-8-16(17)12-15/h4,6,8,12,14H,3,5,7,9-11,13,17H2,1-2H3
InChIKeySBEWGKSFUFYKDB-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds5

About 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline

3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline (PubChem CID 115342123) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound Name3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
PubChem CID115342123
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
SMILESCCN1CCN(CCCc2cccc(N)c2)CC1C
InChIInChI=1S/C16H27N3/c1-3-19-11-10-18(13-14(19)2)9-5-7-15-6-4-8-16(17)12-15/h4,6,8,12,14H,3,5,7,9-11,13,17H2,1-2H3
InChIKeySBEWGKSFUFYKDB-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine
CID 63604530
3-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]aniline
CID 115342167
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646168
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721177
6-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79230691
3-pentylaniline
CID 19911390
tert-butyl 2-[4-[(3-aminophenyl)methyl]-3-methylpiperazin-1-yl]acetate
CID 118429370

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline?
The IUPAC name of 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline (CID 115342123) is 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline is CCN1CCN(CCCc2cccc(N)c2)CC1C.
What is the InChIKey of 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline?
The InChIKey is SBEWGKSFUFYKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19-11-10-18(13-14(19)2)9-5-7-15-6-4-8-16(17)12-15/h4,6,8,12,14H,3,5,7,9-11,13,17H2,1-2H3.
What are the key properties of 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline?
3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 115342123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).