1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine

C20H39FN2 — CID 176629808

IUPAC1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine
SMILESCC1CC(C(C)(C)C)CCN1CC1(F)CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39FN2/c1-16-14-17(18(2,3)4)8-11-22(16)15-20(21)9-12-23(13-10-20)19(5,6)7/h16-17H,8-15H2,1-7H3
InChIKeyLWARVBQKPFSKNA-UHFFFAOYSA-N
MW326.54 g/mol
LogP4.74
Rot. Bonds2

About 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine

1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine (PubChem CID 176629808) has the molecular formula C20H39FN2 and a molecular weight of 326.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine
PubChem CID176629808
Molecular FormulaC20H39FN2
Molecular Weight326.54 g/mol
Exact Mass326.31
IUPAC Name1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine
SMILESCC1CC(C(C)(C)C)CCN1CC1(F)CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39FN2/c1-16-14-17(18(2,3)4)8-11-22(16)15-20(21)9-12-23(13-10-20)19(5,6)7/h16-17H,8-15H2,1-7H3
InChIKeyLWARVBQKPFSKNA-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
CID 134413729
1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 153484479
1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845725
1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-(4-methylphenyl)piperazine
CID 171429553
1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine
CID 131019339
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine (CID 176629808) is 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine is CC1CC(C(C)(C)C)CCN1CC1(F)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine?
The InChIKey is LWARVBQKPFSKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2/c1-16-14-17(18(2,3)4)8-11-22(16)15-20(21)9-12-23(13-10-20)19(5,6)7/h16-17H,8-15H2,1-7H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine?
1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine has a molecular weight of 326.54 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 176629808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).