1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine

C16H27N3 — CID 43199540

IUPAC1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-14(2)16(17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,17H2,1-2H3
InChIKeyZTJANCXIKFXMPF-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine

1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine (PubChem CID 43199540) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
PubChem CID43199540
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-14(2)16(17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,17H2,1-2H3
InChIKeyZTJANCXIKFXMPF-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol
CID 175551681
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine (CID 43199540) is 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine is CC(C)C(N)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine?
The InChIKey is ZTJANCXIKFXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)16(17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,17H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine?
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 43199540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).