ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol

C11H26F3NO — CID 176666747

IUPACethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC.CC(C)N1CCC(O)(C(F)(F)F)CC1.[H][H].[H][H]
InChIInChI=1S/C9H16F3NO.C2H6.2H2/c1-7(2)13-5-3-8(14,4-6-13)9(10,11)12;1-2;;/h7,14H,3-6H2,1-2H3;1-2H3;2*1H
InChIKeyOXAXSBLAVJVKGX-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.30
Rot. Bonds1

About ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol

ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 176666747) has the molecular formula C11H26F3NO and a molecular weight of 245.33 g/mol. Its IUPAC name is ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Nameethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
PubChem CID176666747
Molecular FormulaC11H26F3NO
Molecular Weight245.33 g/mol
Exact Mass245.20
IUPAC Nameethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC.CC(C)N1CCC(O)(C(F)(F)F)CC1.[H][H].[H][H]
InChIInChI=1S/C9H16F3NO.C2H6.2H2/c1-7(2)13-5-3-8(14,4-6-13)9(10,11)12;1-2;;/h7,14H,3-6H2,1-2H3;1-2H3;2*1H
InChIKeyOXAXSBLAVJVKGX-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol (CID 176666747) is ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol is CC.CC(C)N1CCC(O)(C(F)(F)F)CC1.[H][H].[H][H].
What is the InChIKey of ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is OXAXSBLAVJVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO.C2H6.2H2/c1-7(2)13-5-3-8(14,4-6-13)9(10,11)12;1-2;;/h7,14H,3-6H2,1-2H3;1-2H3;2*1H.
What are the key properties of ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 245.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 176666747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).