4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide

C16H27F3N2O2 — CID 146122465

IUPAC4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(O)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O2/c1-11(20-15(23)13-2-4-14(22)5-3-13)12-6-8-21(9-7-12)10-16(17,18)19/h11-14,22H,2-10H2,1H3,(H,20,23)
InChIKeyHNDNCCIDRXDQCN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.32
Rot. Bonds4

About 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide

4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 146122465) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID146122465
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(O)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O2/c1-11(20-15(23)13-2-4-14(22)5-3-13)12-6-8-21(9-7-12)10-16(17,18)19/h11-14,22H,2-10H2,1H3,(H,20,23)
InChIKeyHNDNCCIDRXDQCN-UHFFFAOYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide (CID 146122465) is 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(O)CC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is HNDNCCIDRXDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-11(20-15(23)13-2-4-14(22)5-3-13)12-6-8-21(9-7-12)10-16(17,18)19/h11-14,22H,2-10H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146122465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).