(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine

C11H18FN3 — CID 164636204

IUPAC(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCc1[nH]ncc1CN1CCC[C@](C)(F)C1
InChIInChI=1S/C11H18FN3/c1-9-10(6-13-14-9)7-15-5-3-4-11(2,12)8-15/h6H,3-5,7-8H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyPAHMMDJGMDEWOX-NSHDSACASA-N
MW211.28 g/mol
LogP2.04
Rot. Bonds2

About (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine

(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine (PubChem CID 164636204) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
PubChem CID164636204
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCc1[nH]ncc1CN1CCC[C@](C)(F)C1
InChIInChI=1S/C11H18FN3/c1-9-10(6-13-14-9)7-15-5-3-4-11(2,12)8-15/h6H,3-5,7-8H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyPAHMMDJGMDEWOX-NSHDSACASA-N
XLogP2.04
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
The IUPAC name of (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine (CID 164636204) is (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine is Cc1[nH]ncc1CN1CCC[C@](C)(F)C1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
The InChIKey is PAHMMDJGMDEWOX-NSHDSACASA-N. The full InChI is InChI=1S/C11H18FN3/c1-9-10(6-13-14-9)7-15-5-3-4-11(2,12)8-15/h6H,3-5,7-8H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 164636204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).