2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine

C14H21FN2 — CID 174276445

IUPAC2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine
SMILESCc1c(N2CCC(C(C)C)CC2)ccnc1F
InChIInChI=1S/C14H21FN2/c1-10(2)12-5-8-17(9-6-12)13-4-7-16-14(15)11(13)3/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyPOWKVESQHWNORE-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.40
Rot. Bonds2

About 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine

2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine (PubChem CID 174276445) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine
PubChem CID174276445
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine
SMILESCc1c(N2CCC(C(C)C)CC2)ccnc1F
InChIInChI=1S/C14H21FN2/c1-10(2)12-5-8-17(9-6-12)13-4-7-16-14(15)11(13)3/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyPOWKVESQHWNORE-UHFFFAOYSA-N
XLogP3.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine?
The IUPAC name of 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine (CID 174276445) is 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine is Cc1c(N2CCC(C(C)C)CC2)ccnc1F.
What is the InChIKey of 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine?
The InChIKey is POWKVESQHWNORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)12-5-8-17(9-6-12)13-4-7-16-14(15)11(13)3/h4,7,10,12H,5-6,8-9H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine?
2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine has a molecular weight of 236.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-4-(4-propan-2-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 174276445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).