1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea

C14H21FN4O — CID 166603345

IUPAC1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C14H21FN4O/c1-17(2)14(20)18(3)11-6-9-19(10-7-11)13-12(15)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyATIIKIOHNQZZKG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.80
Rot. Bonds2

About 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea

1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea (PubChem CID 166603345) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
PubChem CID166603345
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C14H21FN4O/c1-17(2)14(20)18(3)11-6-9-19(10-7-11)13-12(15)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyATIIKIOHNQZZKG-UHFFFAOYSA-N
XLogP1.80
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea
CID 166603589
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 129371703
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
[1-(3-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487945

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea (CID 166603345) is 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCN(c2ncccc2F)CC1.
What is the InChIKey of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
The InChIKey is ATIIKIOHNQZZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-17(2)14(20)18(3)11-6-9-19(10-7-11)13-12(15)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea has a molecular weight of 280.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166603345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).