6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine

C16H26FN3 — CID 82852919

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
SMILESCC(N)CCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-14(18)6-4-5-9-19-10-12-20(13-11-19)16-8-3-2-7-15(16)17/h2-3,7-8,14H,4-6,9-13,18H2,1H3
InChIKeyXIIJHCRFUAYAJB-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds6

About 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine

6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine (PubChem CID 82852919) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
PubChem CID82852919
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
SMILESCC(N)CCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-14(18)6-4-5-9-19-10-12-20(13-11-19)16-8-3-2-7-15(16)17/h2-3,7-8,14H,4-6,9-13,18H2,1H3
InChIKeyXIIJHCRFUAYAJB-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.47
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

6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine (CID 82852919) is 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine is CC(N)CCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine?
The InChIKey is XIIJHCRFUAYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-14(18)6-4-5-9-19-10-12-20(13-11-19)16-8-3-2-7-15(16)17/h2-3,7-8,14H,4-6,9-13,18H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine?
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine is sourced from PubChem (CID 82852919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).