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

C19H36FN3O — CID 177302222

IUPAC1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)C(C)C1
InChIInChI=1S/C19H36FN3O/c1-15(2)12-21-10-11-23(17(5)13-21)14-19(20)6-8-22(9-7-19)18(24)16(3)4/h15-17H,6-14H2,1-5H3
InChIKeyVMSMNHFWDCPINR-UHFFFAOYSA-N
MW341.51 g/mol
LogP2.64
Rot. Bonds5

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

1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 177302222) has the molecular formula C19H36FN3O and a molecular weight of 341.51 g/mol. Its IUPAC name is 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID177302222
Molecular FormulaC19H36FN3O
Molecular Weight341.51 g/mol
Exact Mass341.28
IUPAC Name1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)C(C)C1
InChIInChI=1S/C19H36FN3O/c1-15(2)12-21-10-11-23(17(5)13-21)14-19(20)6-8-22(9-7-19)18(24)16(3)4/h15-17H,6-14H2,1-5H3
InChIKeyVMSMNHFWDCPINR-UHFFFAOYSA-N
XLogP2.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

N,N-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 97520890
N-[(1-cyclopentyl-3-piperidinyl)methyl]-4,4,4-trifluoro-N-[2-(1-piperidinyl)ethyl]butanamide
CID 45227748
N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164632263
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
1-[4-(4-Fluorocyclohexyl)piperazin-1-yl]-2-methylpropan-1-one
CID 141692600
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
4-[[4-(2-Methylpropanoyl)piperazin-1-yl]methyl]piperidine-1-carbonyl fluoride
CID 156707491
1-[4-[(1-Butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113225
1-[4-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 166113245

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 177302222) is 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)CN1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)C(C)C1.
What is the InChIKey of 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VMSMNHFWDCPINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN3O/c1-15(2)12-21-10-11-23(17(5)13-21)14-19(20)6-8-22(9-7-19)18(24)16(3)4/h15-17H,6-14H2,1-5H3.
What are the key properties of 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 341.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 177302222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).