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

C16H26FN3 — CID 162486501

IUPAC(3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine
SMILESCc1cnn([C@H]2CCN(C3CC(C(C)C)C3)C[C@@H]2F)c1
InChIInChI=1S/C16H26FN3/c1-11(2)13-6-14(7-13)19-5-4-16(15(17)10-19)20-9-12(3)8-18-20/h8-9,11,13-16H,4-7,10H2,1-3H3/t13?,14?,15-,16-/m0/s1
InChIKeyFEFQTBAVPWTVAV-CKUJCDMFSA-N
MW279.40 g/mol
LogP3.21
Rot. Bonds3

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

(3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine (PubChem CID 162486501) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine
PubChem CID162486501
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name(3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine
SMILESCc1cnn([C@H]2CCN(C3CC(C(C)C)C3)C[C@@H]2F)c1
InChIInChI=1S/C16H26FN3/c1-11(2)13-6-14(7-13)19-5-4-16(15(17)10-19)20-9-12(3)8-18-20/h8-9,11,13-16H,4-7,10H2,1-3H3/t13?,14?,15-,16-/m0/s1
InChIKeyFEFQTBAVPWTVAV-CKUJCDMFSA-N
XLogP3.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine (CID 162486501) is (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine is Cc1cnn([C@H]2CCN(C3CC(C(C)C)C3)C[C@@H]2F)c1.
What is the InChIKey of (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine?
The InChIKey is FEFQTBAVPWTVAV-CKUJCDMFSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11(2)13-6-14(7-13)19-5-4-16(15(17)10-19)20-9-12(3)8-18-20/h8-9,11,13-16H,4-7,10H2,1-3H3/t13?,14?,15-,16-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine?
(3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine has a molecular weight of 279.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)-1-(3-propan-2-ylcyclobutyl)piperidine is sourced from PubChem (CID 162486501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).