4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine

C18H27FN2 — CID 15540529

IUPAC4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine
SMILESFc1ccc(CC2CCN(CC3CCCCN3)CC2)cc1
InChIInChI=1S/C18H27FN2/c19-17-6-4-15(5-7-17)13-16-8-11-21(12-9-16)14-18-3-1-2-10-20-18/h4-7,16,18,20H,1-3,8-14H2
InChIKeyIFWQSDBHDSWAJO-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.22
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine

4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine (PubChem CID 15540529) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine
PubChem CID15540529
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine
SMILESFc1ccc(CC2CCN(CC3CCCCN3)CC2)cc1
InChIInChI=1S/C18H27FN2/c19-17-6-4-15(5-7-17)13-16-8-11-21(12-9-16)14-18-3-1-2-10-20-18/h4-7,16,18,20H,1-3,8-14H2
InChIKeyIFWQSDBHDSWAJO-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine (CID 15540529) is 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine is Fc1ccc(CC2CCN(CC3CCCCN3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine?
The InChIKey is IFWQSDBHDSWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c19-17-6-4-15(5-7-17)13-16-8-11-21(12-9-16)14-18-3-1-2-10-20-18/h4-7,16,18,20H,1-3,8-14H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine?
4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine has a molecular weight of 290.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-(piperidin-2-ylmethyl)piperidine is sourced from PubChem (CID 15540529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).