1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine

C19H37FN4 — CID 177072726

IUPAC1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine
SMILESCC(C)(C)N1CCC(F)(CN2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C19H37FN4/c1-18(2,3)24-10-6-19(20,7-11-24)16-22-12-14-23(15-13-22)17-4-8-21-9-5-17/h17,21H,4-16H2,1-3H3
InChIKeyUEEMHQLLLXFPLT-UHFFFAOYSA-N
MW340.53 g/mol
LogP1.96
Rot. Bonds3

About 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine

1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine (PubChem CID 177072726) has the molecular formula C19H37FN4 and a molecular weight of 340.53 g/mol. Its IUPAC name is 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine
PubChem CID177072726
Molecular FormulaC19H37FN4
Molecular Weight340.53 g/mol
Exact Mass340.30
IUPAC Name1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine
SMILESCC(C)(C)N1CCC(F)(CN2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C19H37FN4/c1-18(2,3)24-10-6-19(20,7-11-24)16-22-12-14-23(15-13-22)17-4-8-21-9-5-17/h17,21H,4-16H2,1-3H3
InChIKeyUEEMHQLLLXFPLT-UHFFFAOYSA-N
XLogP1.96
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine?
The IUPAC name of 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine (CID 177072726) is 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine?
The canonical SMILES for 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine is CC(C)(C)N1CCC(F)(CN2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine?
The InChIKey is UEEMHQLLLXFPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN4/c1-18(2,3)24-10-6-19(20,7-11-24)16-22-12-14-23(15-13-22)17-4-8-21-9-5-17/h17,21H,4-16H2,1-3H3.
What are the key properties of 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine?
1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine has a molecular weight of 340.53 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-piperidin-4-ylpiperazine is sourced from PubChem (CID 177072726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).