1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine

C17H31FN2 — CID 163156087

IUPAC1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine
SMILESFC1CCC(CN2CCCCC2C2CCCCN2)CC1
InChIInChI=1S/C17H31FN2/c18-15-9-7-14(8-10-15)13-20-12-4-2-6-17(20)16-5-1-3-11-19-16/h14-17,19H,1-13H2
InChIKeyBKJGZYYYLKIWCF-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.51
Rot. Bonds3

About 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine

1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine (PubChem CID 163156087) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine
PubChem CID163156087
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine
SMILESFC1CCC(CN2CCCCC2C2CCCCN2)CC1
InChIInChI=1S/C17H31FN2/c18-15-9-7-14(8-10-15)13-20-12-4-2-6-17(20)16-5-1-3-11-19-16/h14-17,19H,1-13H2
InChIKeyBKJGZYYYLKIWCF-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine (CID 163156087) is 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine.
What is the SMILES notation for 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine is FC1CCC(CN2CCCCC2C2CCCCN2)CC1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine?
The InChIKey is BKJGZYYYLKIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c18-15-9-7-14(8-10-15)13-20-12-4-2-6-17(20)16-5-1-3-11-19-16/h14-17,19H,1-13H2.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine?
1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine has a molecular weight of 282.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine is sourced from PubChem (CID 163156087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).