4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine

C16H26FN3O — CID 51357649

IUPAC4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(c2ccccc2OCCF)CC1
InChIInChI=1S/C16H26FN3O/c17-7-14-21-16-6-2-1-5-15(16)20-12-10-19(11-13-20)9-4-3-8-18/h1-2,5-6H,3-4,7-14,18H2
InChIKeyNRRAQOQTPZTHLL-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.90
Rot. Bonds8

About 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine

4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine (PubChem CID 51357649) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
PubChem CID51357649
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(c2ccccc2OCCF)CC1
InChIInChI=1S/C16H26FN3O/c17-7-14-21-16-6-2-1-5-15(16)20-12-10-19(11-13-20)9-4-3-8-18/h1-2,5-6H,3-4,7-14,18H2
InChIKeyNRRAQOQTPZTHLL-UHFFFAOYSA-N
XLogP1.90
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 51357647
3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
CID 21473467
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388
6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
CID 139693229
4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
CID 119994243
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
CID 42609932
1-(3-bromopropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine
CID 70202671
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119903300

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine (CID 51357649) is 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine is NCCCCN1CCN(c2ccccc2OCCF)CC1.
What is the InChIKey of 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine?
The InChIKey is NRRAQOQTPZTHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c17-7-14-21-16-6-2-1-5-15(16)20-12-10-19(11-13-20)9-4-3-8-18/h1-2,5-6H,3-4,7-14,18H2.
What are the key properties of 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine?
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 51357649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).