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

C16H26FN3 — CID 60918157

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
SMILESNCCCCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c17-15-7-3-4-8-16(15)20-13-11-19(12-14-20)10-6-2-1-5-9-18/h3-4,7-8H,1-2,5-6,9-14,18H2
InChIKeyQNWVAPLVGLIVGA-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds7

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

6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine (PubChem CID 60918157) 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-1-amine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
PubChem CID60918157
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
SMILESNCCCCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c17-15-7-3-4-8-16(15)20-13-11-19(12-14-20)10-6-2-1-5-9-18/h3-4,7-8H,1-2,5-6,9-14,18H2
InChIKeyQNWVAPLVGLIVGA-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
CID 139693229
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
CID 82482240
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine (CID 60918157) is 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine is NCCCCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine?
The InChIKey is QNWVAPLVGLIVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c17-15-7-3-4-8-16(15)20-13-11-19(12-14-20)10-6-2-1-5-9-18/h3-4,7-8H,1-2,5-6,9-14,18H2.
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine?
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.47, 7 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-1-amine is sourced from PubChem (CID 60918157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).