ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine

C20H39F3N2O — CID 170569524

IUPACethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC.COC1CCC(CCCN2CCN(C(C)C)CC2C(F)(F)F)CC1
InChIInChI=1S/C18H33F3N2O.C2H6/c1-14(2)23-12-11-22(17(13-23)18(19,20)21)10-4-5-15-6-8-16(24-3)9-7-15;1-2/h14-17H,4-13H2,1-3H3;1-2H3
InChIKeyJWBNINWHIKNXJZ-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.95
Rot. Bonds6

About ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine

ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine (PubChem CID 170569524) has the molecular formula C20H39F3N2O and a molecular weight of 380.54 g/mol. Its IUPAC name is ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Nameethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine
PubChem CID170569524
Molecular FormulaC20H39F3N2O
Molecular Weight380.54 g/mol
Exact Mass380.30
IUPAC Nameethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC.COC1CCC(CCCN2CCN(C(C)C)CC2C(F)(F)F)CC1
InChIInChI=1S/C18H33F3N2O.C2H6/c1-14(2)23-12-11-22(17(13-23)18(19,20)21)10-4-5-15-6-8-16(24-3)9-7-15;1-2/h14-17H,4-13H2,1-3H3;1-2H3
InChIKeyJWBNINWHIKNXJZ-UHFFFAOYSA-N
XLogP4.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine?
The IUPAC name of ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine (CID 170569524) is ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine?
The canonical SMILES for ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine is CC.COC1CCC(CCCN2CCN(C(C)C)CC2C(F)(F)F)CC1.
What is the InChIKey of ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine?
The InChIKey is JWBNINWHIKNXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N2O.C2H6/c1-14(2)23-12-11-22(17(13-23)18(19,20)21)10-4-5-15-6-8-16(24-3)9-7-15;1-2/h14-17H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine?
ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine has a molecular weight of 380.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 170569524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).