1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine

C15H24FN3 — CID 154623745

IUPAC1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ncc(C(C)(C)C)cc2F)CC1
InChIInChI=1S/C15H24FN3/c1-15(2,3)12-9-13(16)14(17-10-12)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3
InChIKeyASHADBFQTVCVTC-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.27
Rot. Bonds2

About 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine

1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine (PubChem CID 154623745) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine
PubChem CID154623745
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ncc(C(C)(C)C)cc2F)CC1
InChIInChI=1S/C15H24FN3/c1-15(2,3)12-9-13(16)14(17-10-12)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3
InChIKeyASHADBFQTVCVTC-UHFFFAOYSA-N
XLogP2.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-difluoro-2-pyridinyl)methyl]morpholine
CID 171333753
1,8-bis[(3,5-ditert-butylphenyl)methyl]-4,11-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 132917367
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759845
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
2,6-ditert-butyl-4-[(4-methylpiperazin-1-yl)methyl]phenol
CID 751703
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819
5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine
CID 158164356
3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171994612
1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
CID 154929877
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine (CID 154623745) is 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ncc(C(C)(C)C)cc2F)CC1.
What is the InChIKey of 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine?
The InChIKey is ASHADBFQTVCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-15(2,3)12-9-13(16)14(17-10-12)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine?
1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine has a molecular weight of 265.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 154623745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).