ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine

C17H33F3N2 — CID 178011250

IUPACethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCC.CCCNC1CCC(N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H27F3N2.C2H6/c1-2-9-19-13-3-5-14(6-4-13)20-10-7-12(8-11-20)15(16,17)18;1-2/h12-14,19H,2-11H2,1H3;1-2H3
InChIKeyWCESPCJPEWDXMT-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.60
Rot. Bonds4

About ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine

ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine (PubChem CID 178011250) has the molecular formula C17H33F3N2 and a molecular weight of 322.46 g/mol. Its IUPAC name is ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
PubChem CID178011250
Molecular FormulaC17H33F3N2
Molecular Weight322.46 g/mol
Exact Mass322.26
IUPAC Nameethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCC.CCCNC1CCC(N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H27F3N2.C2H6/c1-2-9-19-13-3-5-14(6-4-13)20-10-7-12(8-11-20)15(16,17)18;1-2/h12-14,19H,2-11H2,1H3;1-2H3
InChIKeyWCESPCJPEWDXMT-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The IUPAC name of ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine (CID 178011250) is ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The canonical SMILES for ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine is CC.CCCNC1CCC(N2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The InChIKey is WCESPCJPEWDXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2.C2H6/c1-2-9-19-13-3-5-14(6-4-13)20-10-7-12(8-11-20)15(16,17)18;1-2/h12-14,19H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine has a molecular weight of 322.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 178011250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).