N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine

C16H26FN3O — CID 62573942

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3O/c1-14(13-21-2)18-7-8-19-9-11-20(12-10-19)16-5-3-15(17)4-6-16/h3-6,14,18H,7-13H2,1-2H3
InChIKeyPTCIWOINUOVKJT-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.57
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine (PubChem CID 62573942) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
PubChem CID62573942
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3O/c1-14(13-21-2)18-7-8-19-9-11-20(12-10-19)16-5-3-15(17)4-6-16/h3-6,14,18H,7-13H2,1-2H3
InChIKeyPTCIWOINUOVKJT-UHFFFAOYSA-N
XLogP1.57
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62574171
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
CID 110313451
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42267676
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine (CID 62573942) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine is COCC(C)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
The InChIKey is PTCIWOINUOVKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-14(13-21-2)18-7-8-19-9-11-20(12-10-19)16-5-3-15(17)4-6-16/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62573942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).