2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine

C10H14FN3 — CID 129349446

IUPAC2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC[C@H](F)C2)n1
InChIInChI=1S/C10H14FN3/c1-8-4-5-12-10(13-8)14-6-2-3-9(11)7-14/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyUWEWZQLOUACLNR-VIFPVBQESA-N
MW195.24 g/mol
LogP1.72
Rot. Bonds1

About 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine

2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine (PubChem CID 129349446) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
PubChem CID129349446
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC[C@H](F)C2)n1
InChIInChI=1S/C10H14FN3/c1-8-4-5-12-10(13-8)14-6-2-3-9(11)7-14/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyUWEWZQLOUACLNR-VIFPVBQESA-N
XLogP1.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine (CID 129349446) is 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCC[C@H](F)C2)n1.
What is the InChIKey of 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine?
The InChIKey is UWEWZQLOUACLNR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FN3/c1-8-4-5-12-10(13-8)14-6-2-3-9(11)7-14/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine?
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine has a molecular weight of 195.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 129349446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).