(3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine

C11H18FN3 — CID 129488115

IUPAC(3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cncc1CN1CCC[C@](C)(F)C1
InChIInChI=1S/C11H18FN3/c1-11(12)4-3-5-15(8-11)7-10-6-13-9-14(10)2/h6,9H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyHPVBCQGGFSBOQY-NSHDSACASA-N
MW211.28 g/mol
LogP1.74
Rot. Bonds2

About (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine

(3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine (PubChem CID 129488115) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine
PubChem CID129488115
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name(3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cncc1CN1CCC[C@](C)(F)C1
InChIInChI=1S/C11H18FN3/c1-11(12)4-3-5-15(8-11)7-10-6-13-9-14(10)2/h6,9H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyHPVBCQGGFSBOQY-NSHDSACASA-N
XLogP1.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine?
The IUPAC name of (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine (CID 129488115) is (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine is Cn1cncc1CN1CCC[C@](C)(F)C1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine?
The InChIKey is HPVBCQGGFSBOQY-NSHDSACASA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(12)4-3-5-15(8-11)7-10-6-13-9-14(10)2/h6,9H,3-5,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine?
(3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 129488115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).