1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol

C10H21FN2O — CID 130993658

IUPAC1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(CC(O)CF)C[C@H](C)N1C
InChIInChI=1S/C10H21FN2O/c1-8-5-13(7-10(14)4-11)6-9(2)12(8)3/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyNSNAXUKIWIYHJT-ULKQDVFKSA-N
MW204.29 g/mol
LogP0.34
Rot. Bonds3

About 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol

1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol (PubChem CID 130993658) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol
PubChem CID130993658
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(CC(O)CF)C[C@H](C)N1C
InChIInChI=1S/C10H21FN2O/c1-8-5-13(7-10(14)4-11)6-9(2)12(8)3/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyNSNAXUKIWIYHJT-ULKQDVFKSA-N
XLogP0.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
CID 131141250
1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539152
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol
CID 131112804
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
2-chloro-3-(3,4,5-trimethylpiperazin-1-yl)propanoic acid
CID 114540635
3-[3,5-dimethyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 86807143
2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propane-1-thiol
CID 114541048
3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
methyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539347

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol (CID 130993658) is 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol is C[C@@H]1CN(CC(O)CF)C[C@H](C)N1C.
What is the InChIKey of 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol?
The InChIKey is NSNAXUKIWIYHJT-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-8-5-13(7-10(14)4-11)6-9(2)12(8)3/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?.
What are the key properties of 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol?
1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol has a molecular weight of 204.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 130993658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).