4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine

C17H32FN3 — CID 167091473

IUPAC4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
SMILESCN1CCC(F)(CN2CCC(C3CCNCC3)CC2)CC1
InChIInChI=1S/C17H32FN3/c1-20-12-6-17(18,7-13-20)14-21-10-4-16(5-11-21)15-2-8-19-9-3-15/h15-16,19H,2-14H2,1H3
InChIKeyYUSHJWHHDUZUCL-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.13
Rot. Bonds3

About 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine

4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 167091473) has the molecular formula C17H32FN3 and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
PubChem CID167091473
Molecular FormulaC17H32FN3
Molecular Weight297.46 g/mol
Exact Mass297.26
IUPAC Name4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
SMILESCN1CCC(F)(CN2CCC(C3CCNCC3)CC2)CC1
InChIInChI=1S/C17H32FN3/c1-20-12-6-17(18,7-13-20)14-21-10-4-16(5-11-21)15-2-8-19-9-3-15/h15-16,19H,2-14H2,1H3
InChIKeyYUSHJWHHDUZUCL-UHFFFAOYSA-N
XLogP2.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine (CID 167091473) is 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine is CN1CCC(F)(CN2CCC(C3CCNCC3)CC2)CC1.
What is the InChIKey of 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is YUSHJWHHDUZUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3/c1-20-12-6-17(18,7-13-20)14-21-10-4-16(5-11-21)15-2-8-19-9-3-15/h15-16,19H,2-14H2,1H3.
What are the key properties of 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 297.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 167091473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).