1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine

C14H21FN2 — CID 135188571

IUPAC1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(CCCF)cc2)CC1
InChIInChI=1S/C14H21FN2/c1-16-9-11-17(12-10-16)14-6-4-13(5-7-14)3-2-8-15/h4-7H,2-3,8-12H2,1H3
InChIKeyRBYKICPGPXTMLF-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.34
Rot. Bonds4

About 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine

1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine (PubChem CID 135188571) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
PubChem CID135188571
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(CCCF)cc2)CC1
InChIInChI=1S/C14H21FN2/c1-16-9-11-17(12-10-16)14-6-4-13(5-7-14)3-2-8-15/h4-7H,2-3,8-12H2,1H3
InChIKeyRBYKICPGPXTMLF-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-(5,5,5-trifluoropentyl)phenyl]piperazine
CID 142952246
1-[4-(3-fluoropropyl)phenyl]piperazine
CID 59470555
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
1-[4-(7-tert-butylsulfonylheptyl)phenyl]-4-methylpiperazine
CID 59545904
1-methyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]piperazine
CID 59545521
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
4-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890704

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine (CID 135188571) is 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine is CN1CCN(c2ccc(CCCF)cc2)CC1.
What is the InChIKey of 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine?
The InChIKey is RBYKICPGPXTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-16-9-11-17(12-10-16)14-6-4-13(5-7-14)3-2-8-15/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine?
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 135188571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).