1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine

C14H21FN2 — CID 114832354

IUPAC1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
SMILESCC1CN(C(C)Cc2cccc(F)c2)CCN1
InChIInChI=1S/C14H21FN2/c1-11-10-17(7-6-16-11)12(2)8-13-4-3-5-14(15)9-13/h3-5,9,11-12,16H,6-8,10H2,1-2H3
InChIKeyIBNBUHSYNALRRC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine

1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine (PubChem CID 114832354) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
PubChem CID114832354
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
SMILESCC1CN(C(C)Cc2cccc(F)c2)CCN1
InChIInChI=1S/C14H21FN2/c1-11-10-17(7-6-16-11)12(2)8-13-4-3-5-14(15)9-13/h3-5,9,11-12,16H,6-8,10H2,1-2H3
InChIKeyIBNBUHSYNALRRC-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine
CID 64954587
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120571034
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742
1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
CID 130653889
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine?
The IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine (CID 114832354) is 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine is CC1CN(C(C)Cc2cccc(F)c2)CCN1.
What is the InChIKey of 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine?
The InChIKey is IBNBUHSYNALRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-10-17(7-6-16-11)12(2)8-13-4-3-5-14(15)9-13/h3-5,9,11-12,16H,6-8,10H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine?
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine is sourced from PubChem (CID 114832354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).