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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Related Compounds

5-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]-2-cyclohexyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 59295645
[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine
CID 149038889
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133
1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
CID 90191101
1-(4-tert-butyl-2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 155764118
1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
CID 71106426
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170198
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129
3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170115
1-[1-[4-(chloromethyl)-2-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 63170307
1-[1-(4-tert-butyl-2-methoxyphenyl)azetidin-3-yl]pyrrolidine
CID 166899184
1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 107303810

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).