1-(2-fluoropropan-2-yl)-4-methylpiperazine

C8H17FN2 — CID 171630088

IUPAC1-(2-fluoropropan-2-yl)-4-methylpiperazine
SMILESCN1CCN(C(C)(C)F)CC1
InChIInChI=1S/C8H17FN2/c1-8(2,9)11-6-4-10(3)5-7-11/h4-7H2,1-3H3
InChIKeyHTTVQNUMSZTJPV-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.94
Rot. Bonds1

About 1-(2-fluoropropan-2-yl)-4-methylpiperazine

1-(2-fluoropropan-2-yl)-4-methylpiperazine (PubChem CID 171630088) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)-4-methylpiperazine
PubChem CID171630088
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(2-fluoropropan-2-yl)-4-methylpiperazine
SMILESCN1CCN(C(C)(C)F)CC1
InChIInChI=1S/C8H17FN2/c1-8(2,9)11-6-4-10(3)5-7-11/h4-7H2,1-3H3
InChIKeyHTTVQNUMSZTJPV-UHFFFAOYSA-N
XLogP0.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
CID 66908
1,4-Diethylpiperazine
CID 80973
1,4-Diisopropylpiperazine
CID 204266
1,1,4,4-Tetramethylpiperazine-1,4-diium
CID 81393
1,4-Piperazinediethanamine, beta,beta'-dimethyl-
CID 3086049
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-Methyl-4-propyl-piperazine
CID 12566798
1-Ethyl-1,4-dimethylpiperazin-1-ium
CID 19774336
1-(2-Fluoroethyl)-1,4-dimethylpiperazin-1-ium
CID 12138844
1-Propan-2-yl-4-(trifluoromethyl)piperazine;dihydrochloride
CID 20283037
1-Propan-2-yl-4-(trifluoromethyl)piperazine
CID 20283038
1-(2-Fluoroethyl)-4-methylpiperazine
CID 20649672

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(2-fluoropropan-2-yl)-4-methylpiperazine (CID 171630088) is 1-(2-fluoropropan-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2-fluoropropan-2-yl)-4-methylpiperazine is CN1CCN(C(C)(C)F)CC1.
What is the InChIKey of 1-(2-fluoropropan-2-yl)-4-methylpiperazine?
The InChIKey is HTTVQNUMSZTJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(2,9)11-6-4-10(3)5-7-11/h4-7H2,1-3H3.
What are the key properties of 1-(2-fluoropropan-2-yl)-4-methylpiperazine?
1-(2-fluoropropan-2-yl)-4-methylpiperazine has a molecular weight of 160.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yl)-4-methylpiperazine is sourced from PubChem (CID 171630088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).