1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea

C13H22F3N3O — CID 123276512

IUPAC1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NC1CCNCC1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-1-3-10(4-2-9)18-12(20)19-11-5-7-17-8-6-11/h9-11,17H,1-8H2,(H2,18,19,20)
InChIKeyXVZVHOVJTLEYFV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.16
Rot. Bonds2

About 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea

1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 123276512) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID123276512
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NC1CCNCC1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-1-3-10(4-2-9)18-12(20)19-11-5-7-17-8-6-11/h9-11,17H,1-8H2,(H2,18,19,20)
InChIKeyXVZVHOVJTLEYFV-UHFFFAOYSA-N
XLogP2.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 123276512) is 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea is O=C(NC1CCNCC1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is XVZVHOVJTLEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)9-1-3-10(4-2-9)18-12(20)19-11-5-7-17-8-6-11/h9-11,17H,1-8H2,(H2,18,19,20).
What are the key properties of 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 293.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 123276512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).