4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride

C11H20FN3O — CID 167474521

IUPAC4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C11H20FN3O/c12-11(16)15-5-1-10(2-6-15)9-14-7-3-13-4-8-14/h10,13H,1-9H2
InChIKeyPZPRCVRQBFAPCT-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.69
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride

4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride (PubChem CID 167474521) has the molecular formula C11H20FN3O and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride
PubChem CID167474521
Molecular FormulaC11H20FN3O
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC Name4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C11H20FN3O/c12-11(16)15-5-1-10(2-6-15)9-14-7-3-13-4-8-14/h10,13H,1-9H2
InChIKeyPZPRCVRQBFAPCT-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Piperazin-1-yl(piperidin-4-yl)methanone
CID 22721869
4-Ethyl-3-(methylamino)piperidine-1-carbonyl fluoride
CID 59110312
N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide
CID 118297505
1-[[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 165137582
1-[[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 165137676
1-[(3-Fluoro-1-propylpiperidin-4-yl)methyl]piperazine
CID 165137943
1-[(4-Fluoropiperidin-4-yl)methyl]piperazine
CID 165138040
1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine
CID 165138110
1-[(3-Fluoro-1-methylpiperidin-4-yl)methyl]piperazine
CID 169629821
1-[4-Fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 170978877
4-[(4-Fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid
CID 174172104
N-(2-piperidin-1-ylethyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501178

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride?
The IUPAC name of 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride (CID 167474521) is 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride is O=C(F)N1CCC(CN2CCNCC2)CC1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride?
The InChIKey is PZPRCVRQBFAPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O/c12-11(16)15-5-1-10(2-6-15)9-14-7-3-13-4-8-14/h10,13H,1-9H2.
What are the key properties of 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride?
4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride has a molecular weight of 229.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride is sourced from PubChem (CID 167474521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).