1-(2-fluorophenyl)-3-piperidin-4-ylurea

C12H16FN3O — CID 16785411

IUPAC1-(2-fluorophenyl)-3-piperidin-4-ylurea
SMILESO=C(Nc1ccccc1F)NC1CCNCC1
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H2,15,16,17)
InChIKeyWDOZSYDMBWZWTJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.70
Rot. Bonds2

About 1-(2-fluorophenyl)-3-piperidin-4-ylurea

1-(2-fluorophenyl)-3-piperidin-4-ylurea (PubChem CID 16785411) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-piperidin-4-ylurea
PubChem CID16785411
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-(2-fluorophenyl)-3-piperidin-4-ylurea
SMILESO=C(Nc1ccccc1F)NC1CCNCC1
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H2,15,16,17)
InChIKeyWDOZSYDMBWZWTJ-UHFFFAOYSA-N
XLogP1.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid
CID 61402803
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
CID 117235479
1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
CID 43523415
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea
CID 43596595
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-piperidin-4-ylurea?
The IUPAC name of 1-(2-fluorophenyl)-3-piperidin-4-ylurea (CID 16785411) is 1-(2-fluorophenyl)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(2-fluorophenyl)-3-piperidin-4-ylurea is O=C(Nc1ccccc1F)NC1CCNCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-piperidin-4-ylurea?
The InChIKey is WDOZSYDMBWZWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H2,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-piperidin-4-ylurea?
1-(2-fluorophenyl)-3-piperidin-4-ylurea has a molecular weight of 237.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-piperidin-4-ylurea is sourced from PubChem (CID 16785411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).