1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine

C19H36F2N2 — CID 176629984

IUPAC1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine
SMILESCC(C)(C)C1CCN(CC2C(F)CN(C(C)(C)C)CC2F)CC1
InChIInChI=1S/C19H36F2N2/c1-18(2,3)14-7-9-22(10-8-14)11-15-16(20)12-23(13-17(15)21)19(4,5)6/h14-17H,7-13H2,1-6H3
InChIKeyNKLDLFHBIDWAIB-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.15
Rot. Bonds2

About 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine

1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine (PubChem CID 176629984) has the molecular formula C19H36F2N2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine
PubChem CID176629984
Molecular FormulaC19H36F2N2
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine
SMILESCC(C)(C)C1CCN(CC2C(F)CN(C(C)(C)C)CC2F)CC1
InChIInChI=1S/C19H36F2N2/c1-18(2,3)14-7-9-22(10-8-14)11-15-16(20)12-23(13-17(15)21)19(4,5)6/h14-17H,7-13H2,1-6H3
InChIKeyNKLDLFHBIDWAIB-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 167620888
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
(4-tert-butylpiperidin-1-yl)methylphosphane
CID 131973586
(4S)-1,3-ditert-butyl-4-fluoropyrrolidine
CID 153470719
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 167612947
CID 174080990
CID 174080990
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine (CID 176629984) is 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine is CC(C)(C)C1CCN(CC2C(F)CN(C(C)(C)C)CC2F)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine?
The InChIKey is NKLDLFHBIDWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N2/c1-18(2,3)14-7-9-22(10-8-14)11-15-16(20)12-23(13-17(15)21)19(4,5)6/h14-17H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine?
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine has a molecular weight of 330.51 g/mol, XLogP of 4.15, 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-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine is sourced from PubChem (CID 176629984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).