1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine

C19H29FN2 — CID 59295552

IUPAC1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)c1ccc(N2CCC(N3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H29FN2/c1-19(2,3)15-6-7-18(17(20)14-15)22-12-8-16(9-13-22)21-10-4-5-11-21/h6-7,14,16H,4-5,8-13H2,1-3H3
InChIKeyRCILDMLIVONSMV-UHFFFAOYSA-N
MW304.45 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine

1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 59295552) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
PubChem CID59295552
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)c1ccc(N2CCC(N3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H29FN2/c1-19(2,3)15-6-7-18(17(20)14-15)22-12-8-16(9-13-22)21-10-4-5-11-21/h6-7,14,16H,4-5,8-13H2,1-3H3
InChIKeyRCILDMLIVONSMV-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine (CID 59295552) is 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine is CC(C)(C)c1ccc(N2CCC(N3CCCC3)CC2)c(F)c1.
What is the InChIKey of 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is RCILDMLIVONSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2/c1-19(2,3)15-6-7-18(17(20)14-15)22-12-8-16(9-13-22)21-10-4-5-11-21/h6-7,14,16H,4-5,8-13H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine?
1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 304.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 59295552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).