3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one

C21H26FN3O2 — CID 119883026

IUPAC3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H26FN3O2/c1-16(23)13-21(26)25-11-9-24(10-12-25)19-3-2-4-20(14-19)27-15-17-5-7-18(22)8-6-17/h2-8,14,16H,9-13,15,23H2,1H3
InChIKeyHFWZYVONVLFFAX-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one

3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one (PubChem CID 119883026) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one
PubChem CID119883026
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H26FN3O2/c1-16(23)13-21(26)25-11-9-24(10-12-25)19-3-2-4-20(14-19)27-15-17-5-7-18(22)8-6-17/h2-8,14,16H,9-13,15,23H2,1H3
InChIKeyHFWZYVONVLFFAX-UHFFFAOYSA-N
XLogP2.79
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119883024
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
(3S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propan-1-one
CID 99668457
3-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]butan-1-one
CID 61260337
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
3-amino-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119728405
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112803676
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 110603565
2-(3-bromophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9077805

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one (CID 119883026) is 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one is CC(N)CC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one?
The InChIKey is HFWZYVONVLFFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16(23)13-21(26)25-11-9-24(10-12-25)19-3-2-4-20(14-19)27-15-17-5-7-18(22)8-6-17/h2-8,14,16H,9-13,15,23H2,1H3.
What are the key properties of 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one?
3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one has a molecular weight of 371.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119883026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).