1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine

C18H27FN2 — CID 90191101

IUPAC1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
SMILESCc1ccc(N2CCC(N3CCC(C)CC3)CC2)c(F)c1
InChIInChI=1S/C18H27FN2/c1-14-5-9-20(10-6-14)16-7-11-21(12-8-16)18-4-3-15(2)13-17(18)19/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyCTYBSYPZKJHAHK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.83
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine

1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine (PubChem CID 90191101) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
PubChem CID90191101
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
SMILESCc1ccc(N2CCC(N3CCC(C)CC3)CC2)c(F)c1
InChIInChI=1S/C18H27FN2/c1-14-5-9-20(10-6-14)16-7-11-21(12-8-16)18-4-3-15(2)13-17(18)19/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyCTYBSYPZKJHAHK-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine (CID 90191101) is 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine is Cc1ccc(N2CCC(N3CCC(C)CC3)CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine?
The InChIKey is CTYBSYPZKJHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14-5-9-20(10-6-14)16-7-11-21(12-8-16)18-4-3-15(2)13-17(18)19/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine?
1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine has a molecular weight of 290.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine is sourced from PubChem (CID 90191101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).