1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine

C18H27F2N — CID 134370447

IUPAC1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine
SMILESCc1ccc(C2(CC(F)F)CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H27F2N/c1-14-5-7-15(8-6-14)18(13-16(19)20)9-11-21(12-10-18)17(2,3)4/h5-8,16H,9-13H2,1-4H3
InChIKeyAYBQNKGOWKESSQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.78
Rot. Bonds3

About 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine

1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine (PubChem CID 134370447) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine
PubChem CID134370447
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine
SMILESCc1ccc(C2(CC(F)F)CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H27F2N/c1-14-5-7-15(8-6-14)18(13-16(19)20)9-11-21(12-10-18)17(2,3)4/h5-8,16H,9-13H2,1-4H3
InChIKeyAYBQNKGOWKESSQ-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol
CID 121450308
1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-(4-methylphenyl)piperazine
CID 171429553
1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
CID 118531544
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
CID 58721778
2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
CID 121451603
4-(4-aminophenyl)-1-tert-butylpiperidin-4-ol
CID 90012734
4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171429593
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
CID 59019999
2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171576647
[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine
CID 95468614
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
CID 142535981

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine (CID 134370447) is 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine is Cc1ccc(C2(CC(F)F)CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine?
The InChIKey is AYBQNKGOWKESSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-14-5-7-15(8-6-14)18(13-16(19)20)9-11-21(12-10-18)17(2,3)4/h5-8,16H,9-13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine?
1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine has a molecular weight of 295.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-difluoroethyl)-4-(4-methylphenyl)piperidine is sourced from PubChem (CID 134370447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).