1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one

C14H26FN3O — CID 170978877

IUPAC1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(F)(CN2CCNCC2)CC1
InChIInChI=1S/C14H26FN3O/c1-12(2)13(19)18-7-3-14(15,4-8-18)11-17-9-5-16-6-10-17/h12,16H,3-11H2,1-2H3
InChIKeyFHTNQVTYQAMGBI-UHFFFAOYSA-N
MW271.38 g/mol
LogP0.88
Rot. Bonds3

About 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 170978877) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID170978877
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(F)(CN2CCNCC2)CC1
InChIInChI=1S/C14H26FN3O/c1-12(2)13(19)18-7-3-14(15,4-8-18)11-17-9-5-16-6-10-17/h12,16H,3-11H2,1-2H3
InChIKeyFHTNQVTYQAMGBI-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
1-(3,9-Diazaspiro[5.5]undecan-3-yl)ethan-1-one
CID 57448395
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
4-(Piperidine-1-carbonyl)piperidine hydrochloride
CID 17385515
1-(4-Methylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 24702180
1-(4-Ethylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 24703734
1-(1-Isobutyrylpiperidin-4-yl)methanamine
CID 42562155
1-(Piperidine-4-carbonyl)piperazine dihydrochloride
CID 45792104
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 170978877) is 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(F)(CN2CCNCC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FHTNQVTYQAMGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-12(2)13(19)18-7-3-14(15,4-8-18)11-17-9-5-16-6-10-17/h12,16H,3-11H2,1-2H3.
What are the key properties of 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 271.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 170978877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).