1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine

C15H23FN2 — CID 114832318

IUPAC1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
SMILESCC1CN(C(C)Cc2ccccc2F)CC(C)N1
InChIInChI=1S/C15H23FN2/c1-11-9-18(10-12(2)17-11)13(3)8-14-6-4-5-7-15(14)16/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyOUIUVHKPKKSDEO-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.44
Rot. Bonds3

About 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine

1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine (PubChem CID 114832318) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
PubChem CID114832318
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
SMILESCC1CN(C(C)Cc2ccccc2F)CC(C)N1
InChIInChI=1S/C15H23FN2/c1-11-9-18(10-12(2)17-11)13(3)8-14-6-4-5-7-15(14)16/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyOUIUVHKPKKSDEO-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119924222
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
CID 114832334
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine (CID 114832318) is 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine is CC1CN(C(C)Cc2ccccc2F)CC(C)N1.
What is the InChIKey of 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine?
The InChIKey is OUIUVHKPKKSDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-18(10-12(2)17-11)13(3)8-14-6-4-5-7-15(14)16/h4-7,11-13,17H,8-10H2,1-3H3.
What are the key properties of 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine?
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine is sourced from PubChem (CID 114832318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).