(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine

C17H28FN3 — CID 162486463

IUPAC(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine
SMILESCc1cnn([C@H]2CCN(C3CC(C(C)C)C3)C[C@@H]2F)c1C
InChIInChI=1S/C17H28FN3/c1-11(2)14-7-15(8-14)20-6-5-17(16(18)10-20)21-13(4)12(3)9-19-21/h9,11,14-17H,5-8,10H2,1-4H3/t14?,15?,16-,17-/m0/s1
InChIKeyFQRWKNYNZYZMAE-GQGLESIBSA-N
MW293.43 g/mol
LogP3.52
Rot. Bonds3

About (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine

(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine (PubChem CID 162486463) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine.

Molecular Properties

Compound Name(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine
PubChem CID162486463
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine
SMILESCc1cnn([C@H]2CCN(C3CC(C(C)C)C3)C[C@@H]2F)c1C
InChIInChI=1S/C17H28FN3/c1-11(2)14-7-15(8-14)20-6-5-17(16(18)10-20)21-13(4)12(3)9-19-21/h9,11,14-17H,5-8,10H2,1-4H3/t14?,15?,16-,17-/m0/s1
InChIKeyFQRWKNYNZYZMAE-GQGLESIBSA-N
XLogP3.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine?
The IUPAC name of (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine (CID 162486463) is (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine.
What is the SMILES notation for (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine?
The canonical SMILES for (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine is Cc1cnn([C@H]2CCN(C3CC(C(C)C)C3)C[C@@H]2F)c1C.
What is the InChIKey of (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine?
The InChIKey is FQRWKNYNZYZMAE-GQGLESIBSA-N. The full InChI is InChI=1S/C17H28FN3/c1-11(2)14-7-15(8-14)20-6-5-17(16(18)10-20)21-13(4)12(3)9-19-21/h9,11,14-17H,5-8,10H2,1-4H3/t14?,15?,16-,17-/m0/s1.
What are the key properties of (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine?
(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine has a molecular weight of 293.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(3-propan-2-ylcyclobutyl)piperidine is sourced from PubChem (CID 162486463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).