4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine

C18H35FN2 — CID 167091339

IUPAC4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine
SMILESCN1CCC(C(C)(C)N2CCC(C(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C18H35FN2/c1-17(2,3)15-9-12-21(13-16(15)19)18(4,5)14-7-10-20(6)11-8-14/h14-16H,7-13H2,1-6H3
InChIKeyMWJRZLRDFLSEDD-UHFFFAOYSA-N
MW298.49 g/mol
LogP3.81
Rot. Bonds2

About 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine

4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine (PubChem CID 167091339) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine
PubChem CID167091339
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine
SMILESCN1CCC(C(C)(C)N2CCC(C(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C18H35FN2/c1-17(2,3)15-9-12-21(13-16(15)19)18(4,5)14-7-10-20(6)11-8-14/h14-16H,7-13H2,1-6H3
InChIKeyMWJRZLRDFLSEDD-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine?
The IUPAC name of 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine (CID 167091339) is 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine?
The canonical SMILES for 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine is CN1CCC(C(C)(C)N2CCC(C(C)(C)C)C(F)C2)CC1.
What is the InChIKey of 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine?
The InChIKey is MWJRZLRDFLSEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2/c1-17(2,3)15-9-12-21(13-16(15)19)18(4,5)14-7-10-20(6)11-8-14/h14-16H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine?
4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine has a molecular weight of 298.49 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-1-[2-(1-methylpiperidin-4-yl)propan-2-yl]piperidine is sourced from PubChem (CID 167091339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).