(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone

C12H21FN2O — CID 145087679

IUPAC(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
SMILESCN1CCCCC1C(=O)N1CCCC(F)C1
InChIInChI=1S/C12H21FN2O/c1-14-7-3-2-6-11(14)12(16)15-8-4-5-10(13)9-15/h10-11H,2-9H2,1H3
InChIKeyYDJXZPGBGFSIOD-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.43
Rot. Bonds1

About (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone

(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone (PubChem CID 145087679) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
PubChem CID145087679
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
SMILESCN1CCCCC1C(=O)N1CCCC(F)C1
InChIInChI=1S/C12H21FN2O/c1-14-7-3-2-6-11(14)12(16)15-8-4-5-10(13)9-15/h10-11H,2-9H2,1H3
InChIKeyYDJXZPGBGFSIOD-UHFFFAOYSA-N
XLogP1.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-methylpiperidine-2-carboxamide
CID 68265026
1-[(1,1-Dimethylpiperidin-1-ium-2-yl)methyl]piperidin-2-one
CID 44350004
1-[(1-Methylpiperidin-2-yl)methyl]piperidin-2-one
CID 44350061
Methyl 4-(1-ethylpiperidine-2-carbonyl)piperazine-1-carboxylate
CID 72023031
2-(4-Methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 3229438
1-((2r,5s)-2,4,5-Trimethylpiperazin-1-yl]hexan-1-one
CID 70698497
Piperazin-1-yl(piperidin-2-yl)methanone
CID 43531666
1-[4-(1-Ethylpiperidine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 53546053
1,6-Bis(2,4-dimethylpiperazin-1-yl)hexane-1,6-dione
CID 56804191
1-(1-Oxo-1-piperidin-1-ylpropan-2-yl)piperidin-2-one
CID 84583535
(2S)-1-acetyl-N-(cyanomethyl)-N-propylpiperidine-2-carboxamide
CID 99859036
(4-Tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone
CID 21061558

Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone?
The IUPAC name of (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone (CID 145087679) is (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone?
The canonical SMILES for (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone is CN1CCCCC1C(=O)N1CCCC(F)C1.
What is the InChIKey of (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone?
The InChIKey is YDJXZPGBGFSIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-14-7-3-2-6-11(14)12(16)15-8-4-5-10(13)9-15/h10-11H,2-9H2,1H3.
What are the key properties of (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone?
(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone has a molecular weight of 228.31 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 145087679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).