1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol

C14H20F4N4O — CID 133372632

IUPAC1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol
SMILESCN1CCN(CC(O)CN(C)c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C14H20F4N4O/c1-20-3-5-22(6-4-20)8-9(23)7-21(2)12-10(15)13(17)19-14(18)11(12)16/h9,23H,3-8H2,1-2H3
InChIKeyPQKVPXRDICRXJP-UHFFFAOYSA-N
MW336.33 g/mol
LogP0.68
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol

1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol (PubChem CID 133372632) has the molecular formula C14H20F4N4O and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol
PubChem CID133372632
Molecular FormulaC14H20F4N4O
Molecular Weight336.33 g/mol
Exact Mass336.16
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol
SMILESCN1CCN(CC(O)CN(C)c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C14H20F4N4O/c1-20-3-5-22(6-4-20)8-9(23)7-21(2)12-10(15)13(17)19-14(18)11(12)16/h9,23H,3-8H2,1-2H3
InChIKeyPQKVPXRDICRXJP-UHFFFAOYSA-N
XLogP0.68
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97065742
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106058
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106075
1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
CID 86818346
1-[(3,4-difluorophenyl)methyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105875
(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 95620513
5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile
CID 99857839
1-(4-methylpiperazin-1-yl)-3-[methyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-2-ol
CID 133322102
3-(3,5-difluorophenyl)-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636392
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 111695291
(2R)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658986
(2S)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658997

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol (CID 133372632) is 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol is CN1CCN(CC(O)CN(C)c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol?
The InChIKey is PQKVPXRDICRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N4O/c1-20-3-5-22(6-4-20)8-9(23)7-21(2)12-10(15)13(17)19-14(18)11(12)16/h9,23H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol?
1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol has a molecular weight of 336.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 133372632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).