[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone

C12H17FN2O — CID 126793907

IUPAC[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(CF)CC2)c1
InChIInChI=1S/C12H17FN2O/c1-14-5-4-11(9-14)12(16)15-6-2-10(8-13)3-7-15/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyNCZFKFUPQDEAMP-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.85
Rot. Bonds2

About [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone

[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 126793907) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID126793907
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(CF)CC2)c1
InChIInChI=1S/C12H17FN2O/c1-14-5-4-11(9-14)12(16)15-6-2-10(8-13)3-7-15/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyNCZFKFUPQDEAMP-UHFFFAOYSA-N
XLogP1.85
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 126793907) is [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCC(CF)CC2)c1.
What is the InChIKey of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is NCZFKFUPQDEAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-14-5-4-11(9-14)12(16)15-6-2-10(8-13)3-7-15/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 224.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 126793907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).