3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine

C15H23FN2 — CID 70894132

IUPAC3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
SMILESCC(C)(C)C1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-15(2,3)13-4-6-18(7-5-13)11-12-8-14(16)10-17-9-12/h8-10,13H,4-7,11H2,1-3H3
InChIKeyKAHUSSDWVCORGO-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.48
Rot. Bonds2

About 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine

3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine (PubChem CID 70894132) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
PubChem CID70894132
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
SMILESCC(C)(C)C1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-15(2,3)13-4-6-18(7-5-13)11-12-8-14(16)10-17-9-12/h8-10,13H,4-7,11H2,1-3H3
InChIKeyKAHUSSDWVCORGO-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
CID 154879461
[2-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 62091617
4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
CID 126789555
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline
CID 82841493
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
CID 153484507
1-[(5-fluoro-3-pyridinyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171994100

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine?
The IUPAC name of 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine (CID 70894132) is 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine?
The canonical SMILES for 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine is CC(C)(C)C1CCN(Cc2cncc(F)c2)CC1.
What is the InChIKey of 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine?
The InChIKey is KAHUSSDWVCORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2,3)13-4-6-18(7-5-13)11-12-8-14(16)10-17-9-12/h8-10,13H,4-7,11H2,1-3H3.
What are the key properties of 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine?
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine has a molecular weight of 250.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine is sourced from PubChem (CID 70894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).