2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine

C10H14FN3O — CID 171701610

IUPAC2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCCC(F)C2)n1
InChIInChI=1S/C10H14FN3O/c1-15-9-4-5-12-10(13-9)14-6-2-3-8(11)7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyYPDDGQGUJIGSPG-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.42
Rot. Bonds2

About 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine

2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine (PubChem CID 171701610) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
PubChem CID171701610
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCCC(F)C2)n1
InChIInChI=1S/C10H14FN3O/c1-15-9-4-5-12-10(13-9)14-6-2-3-8(11)7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyYPDDGQGUJIGSPG-UHFFFAOYSA-N
XLogP1.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
(3S)-N-cyclopentyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-sulfonamide
CID 124736119
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18126831

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine (CID 171701610) is 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine is COc1ccnc(N2CCCC(F)C2)n1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
The InChIKey is YPDDGQGUJIGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-15-9-4-5-12-10(13-9)14-6-2-3-8(11)7-14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine has a molecular weight of 211.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine is sourced from PubChem (CID 171701610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).