(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine

C9H18FIN- — CID 176934951

IUPAC(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine
SMILESC[I-]N1CC[C@@H](C(C)C)[C@H](F)C1
InChIInChI=1S/C9H18FIN/c1-7(2)8-4-5-12(11-3)6-9(8)10/h7-9H,4-6H2,1-3H3/q-1/t8-,9+/m0/s1
InChIKeyHLMHNIVALVQGJG-DTWKUNHWSA-N
MW286.15 g/mol
LogP-1.06
Rot. Bonds2

About (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine

(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine (PubChem CID 176934951) has the molecular formula C9H18FIN- and a molecular weight of 286.15 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine
PubChem CID176934951
Molecular FormulaC9H18FIN-
Molecular Weight286.15 g/mol
Exact Mass286.05
IUPAC Name(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine
SMILESC[I-]N1CC[C@@H](C(C)C)[C@H](F)C1
InChIInChI=1S/C9H18FIN/c1-7(2)8-4-5-12(11-3)6-9(8)10/h7-9H,4-6H2,1-3H3/q-1/t8-,9+/m0/s1
InChIKeyHLMHNIVALVQGJG-DTWKUNHWSA-N
XLogP-1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
(3S,4R)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 177072817
3-fluoro-4-propan-2-ylpiperidine-1-carbonitrile
CID 171505818
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
3-ethynyl-6-(3-fluoro-4-propan-2-ylpiperidin-1-yl)pyridazine
CID 89449483
(3R,4R)-3-fluoro-1-[(1-methyl-1,2,4-triazol-3-yl)sulfonyl]-4-propan-2-ylpiperidine
CID 177300446
1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine
CID 167479851
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine (CID 176934951) is (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine is C[I-]N1CC[C@@H](C(C)C)[C@H](F)C1.
What is the InChIKey of (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine?
The InChIKey is HLMHNIVALVQGJG-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FIN/c1-7(2)8-4-5-12(11-3)6-9(8)10/h7-9H,4-6H2,1-3H3/q-1/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine?
(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine has a molecular weight of 286.15 g/mol, XLogP of -1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 176934951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).