1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine

C23H44F2N4 — CID 171723137

IUPAC1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine
SMILESCC(C)(C)N1CCC(CN2CCC(N3CCN(C(C)(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C23H44F2N4/c1-21(2,3)28-11-7-19(8-12-28)17-26-10-9-20(23(24,25)18-26)27-13-15-29(16-14-27)22(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyYNSUEIUZGHHLRQ-UHFFFAOYSA-N
MW414.63 g/mol
LogP3.62
Rot. Bonds3

About 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine

1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine (PubChem CID 171723137) has the molecular formula C23H44F2N4 and a molecular weight of 414.63 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine
PubChem CID171723137
Molecular FormulaC23H44F2N4
Molecular Weight414.63 g/mol
Exact Mass414.35
IUPAC Name1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine
SMILESCC(C)(C)N1CCC(CN2CCC(N3CCN(C(C)(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C23H44F2N4/c1-21(2,3)28-11-7-19(8-12-28)17-26-10-9-20(23(24,25)18-26)27-13-15-29(16-14-27)22(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyYNSUEIUZGHHLRQ-UHFFFAOYSA-N
XLogP3.62
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine with MolForge

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Related Compounds

(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
2-[2-(4-Fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 90823912
5-Fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 123442953
1-Propan-2-yl-4-[5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 132011540
5-Fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134340085
1-Tert-butyl-4-[5-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 135299334
1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
CID 143051197
1-[2-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine
CID 154670474
1-[2-(2,2-Difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-propylpiperazine
CID 154670784
1-[2-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-ethylpiperazine
CID 154671176
1-[2-(2,2-Difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine
CID 154671339
2-(Difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine
CID 154671442

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine (CID 171723137) is 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine is CC(C)(C)N1CCC(CN2CCC(N3CCN(C(C)(C)C)CC3)C(F)(F)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine?
The InChIKey is YNSUEIUZGHHLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44F2N4/c1-21(2,3)28-11-7-19(8-12-28)17-26-10-9-20(23(24,25)18-26)27-13-15-29(16-14-27)22(4,5)6/h19-20H,7-18H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine?
1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine has a molecular weight of 414.63 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine is sourced from PubChem (CID 171723137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).