[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C12H17FN2O — CID 126791630

IUPAC[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(CF)CC1
InChIInChI=1S/C12H17FN2O/c1-14-6-2-3-11(14)12(16)15-7-4-10(9-13)5-8-15/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyKGMWRQXQTCBEGZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.85
Rot. Bonds2

About [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 126791630) 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-2-yl)methanone.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID126791630
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(CF)CC1
InChIInChI=1S/C12H17FN2O/c1-14-6-2-3-11(14)12(16)15-7-4-10(9-13)5-8-15/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyKGMWRQXQTCBEGZ-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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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126829415
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 122132437
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 120815383
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
(1-methylpyrrol-2-yl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 71977597
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124952207

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 126791630) is [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC(CF)CC1.
What is the InChIKey of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is KGMWRQXQTCBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-14-6-2-3-11(14)12(16)15-7-4-10(9-13)5-8-15/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of [4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-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-2-yl)methanone is sourced from PubChem (CID 126791630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).