1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine

C13H25FN2 — CID 77445901

IUPAC1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCN2CCC(F)CC2)C1
InChIInChI=1S/C13H25FN2/c1-12-3-2-6-16(11-12)10-9-15-7-4-13(14)5-8-15/h12-13H,2-11H2,1H3
InChIKeyOFRQTGMOMBYNLV-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine

1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine (PubChem CID 77445901) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
PubChem CID77445901
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCN2CCC(F)CC2)C1
InChIInChI=1S/C13H25FN2/c1-12-3-2-6-16(11-12)10-9-15-7-4-13(14)5-8-15/h12-13H,2-11H2,1H3
InChIKeyOFRQTGMOMBYNLV-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine (CID 77445901) is 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine is CC1CCCN(CCN2CCC(F)CC2)C1.
What is the InChIKey of 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine?
The InChIKey is OFRQTGMOMBYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-12-3-2-6-16(11-12)10-9-15-7-4-13(14)5-8-15/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine?
1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine is sourced from PubChem (CID 77445901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).