1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea

C15H26F3N3O2 — CID 91650203

IUPAC1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCC(O)CC1
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)10-21-7-5-11(6-8-21)9-19-14(23)20-12-1-3-13(22)4-2-12/h11-13,22H,1-10H2,(H2,19,20,23)
InChIKeyOSRUAFNSNUHVBX-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea

1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea (PubChem CID 91650203) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
PubChem CID91650203
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCC(O)CC1
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)10-21-7-5-11(6-8-21)9-19-14(23)20-12-1-3-13(22)4-2-12/h11-13,22H,1-10H2,(H2,19,20,23)
InChIKeyOSRUAFNSNUHVBX-UHFFFAOYSA-N
XLogP1.86
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea (CID 91650203) is 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea is O=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The InChIKey is OSRUAFNSNUHVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c16-15(17,18)10-21-7-5-11(6-8-21)9-19-14(23)20-12-1-3-13(22)4-2-12/h11-13,22H,1-10H2,(H2,19,20,23).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea has a molecular weight of 337.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 91650203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).