1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine

C15H23FN2 — CID 145081384

IUPAC1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC23C=CC(F)=CC2C3)CC1
InChIInChI=1S/C15H23FN2/c1-17-10-12-3-6-18(7-4-12)11-15-5-2-14(16)8-13(15)9-15/h2,5,8,12-13,17H,3-4,6-7,9-11H2,1H3
InChIKeyIRPVUMQSXUXLOO-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 145081384) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID145081384
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC23C=CC(F)=CC2C3)CC1
InChIInChI=1S/C15H23FN2/c1-17-10-12-3-6-18(7-4-12)11-15-5-2-14(16)8-13(15)9-15/h2,5,8,12-13,17H,3-4,6-7,9-11H2,1H3
InChIKeyIRPVUMQSXUXLOO-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 145081384) is 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(CC23C=CC(F)=CC2C3)CC1.
What is the InChIKey of 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is IRPVUMQSXUXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-17-10-12-3-6-18(7-4-12)11-15-5-2-14(16)8-13(15)9-15/h2,5,8,12-13,17H,3-4,6-7,9-11H2,1H3.
What are the key properties of 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 145081384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).