6-(4-benzylpiperazin-1-yl)hexan-2-amine

C17H29N3 — CID 82853260

IUPAC6-(4-benzylpiperazin-1-yl)hexan-2-amine
SMILESCC(N)CCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-16(18)7-5-6-10-19-11-13-20(14-12-19)15-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15,18H2,1H3
InChIKeyTXQKBQAZNIANOA-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds7

About 6-(4-benzylpiperazin-1-yl)hexan-2-amine

6-(4-benzylpiperazin-1-yl)hexan-2-amine (PubChem CID 82853260) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)hexan-2-amine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)hexan-2-amine
PubChem CID82853260
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name6-(4-benzylpiperazin-1-yl)hexan-2-amine
SMILESCC(N)CCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-16(18)7-5-6-10-19-11-13-20(14-12-19)15-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15,18H2,1H3
InChIKeyTXQKBQAZNIANOA-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-benzyl-4-heptylpiperazine
CID 22088087
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
4-[[4-(10-methylundecyl)piperazin-1-yl]methyl]aniline
CID 155411570
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)hexan-2-amine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)hexan-2-amine (CID 82853260) is 6-(4-benzylpiperazin-1-yl)hexan-2-amine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)hexan-2-amine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)hexan-2-amine is CC(N)CCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)hexan-2-amine?
The InChIKey is TXQKBQAZNIANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-16(18)7-5-6-10-19-11-13-20(14-12-19)15-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15,18H2,1H3.
What are the key properties of 6-(4-benzylpiperazin-1-yl)hexan-2-amine?
6-(4-benzylpiperazin-1-yl)hexan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)hexan-2-amine is sourced from PubChem (CID 82853260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).