tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate

C16H30FN3O2 — CID 59452688

IUPACtert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCN(CCF)CC2)CC1
InChIInChI=1S/C16H30FN3O2/c1-16(2,3)22-15(21)20-7-4-14(5-8-20)19-12-10-18(9-6-17)11-13-19/h14H,4-13H2,1-3H3
InChIKeyQPPRIOSXRLWCCY-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.97
Rot. Bonds3

About tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate (PubChem CID 59452688) has the molecular formula C16H30FN3O2 and a molecular weight of 315.43 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate
PubChem CID59452688
Molecular FormulaC16H30FN3O2
Molecular Weight315.43 g/mol
Exact Mass315.23
IUPAC Nametert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCN(CCF)CC2)CC1
InChIInChI=1S/C16H30FN3O2/c1-16(2,3)22-15(21)20-7-4-14(5-8-20)19-12-10-18(9-6-17)11-13-19/h14H,4-13H2,1-3H3
InChIKeyQPPRIOSXRLWCCY-UHFFFAOYSA-N
XLogP1.97
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(piperidin-4-yl)piperazine-1-carboxylate
CID 17750356
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate--hydrogen chloride (1/1)
CID 17750357
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate
CID 17750358
Tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate
CID 44313554
Ditert-butyl 2-(2-fluoropropan-2-yl)piperazine-1,4-dicarboxylate
CID 134382539
Cambridge id 5453405
CID 783862
(3S)-1-[(tert-butoxy)carbonyl]-3-isocyanopiperidine
CID 98731895
Cambridge id 5465194
CID 784581
tert-Butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 18630813
tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(trifluoromethyl)carbamate
CID 21060516
tert-Butyl 4,4-difluoro-[1,4'-bipiperidine]-1'-carboxylate
CID 53419022
1,1-Dimethylethyl 4-fluoro-1,4'-bipiperidine-1'-carboxylate
CID 53419027

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate (CID 59452688) is tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCN(CCF)CC2)CC1.
What is the InChIKey of tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is QPPRIOSXRLWCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN3O2/c1-16(2,3)22-15(21)20-7-4-14(5-8-20)19-12-10-18(9-6-17)11-13-19/h14H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 315.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59452688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).