[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide

C20H26F6N3- — CID 154498491

IUPAC[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide
SMILES[NH-]C1CCC(CCN2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C20H26F6N3/c21-19(22,23)15-11-16(20(24,25)26)13-18(12-15)29-9-7-28(8-10-29)6-5-14-1-3-17(27)4-2-14/h11-14,17,27H,1-10H2/q-1
InChIKeyVLPIMSMJYGZEAG-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.85
Rot. Bonds4

About [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide

[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide (PubChem CID 154498491) has the molecular formula C20H26F6N3- and a molecular weight of 422.44 g/mol. Its IUPAC name is [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide.

Molecular Properties

Compound Name[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide
PubChem CID154498491
Molecular FormulaC20H26F6N3-
Molecular Weight422.44 g/mol
Exact Mass422.20
IUPAC Name[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide
SMILES[NH-]C1CCC(CCN2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C20H26F6N3/c21-19(22,23)15-11-16(20(24,25)26)13-18(12-15)29-9-7-28(8-10-29)6-5-14-1-3-17(27)4-2-14/h11-14,17,27H,1-10H2/q-1
InChIKeyVLPIMSMJYGZEAG-UHFFFAOYSA-N
XLogP5.85
TPSA30.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 87585240
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol
CID 143598597
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 59774719
3-[4-[2-[4-(5-ethoxy-4-methylpentyl)cyclohexyl]ethyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 162584210
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 58563433
3-[4-[4-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1-azabicyclo[1.1.0]butan-2-yl]-3-oxopropanenitrile
CID 162584201
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
3-[4-[2-[4-(2-amino-4-ethoxy-3-oxobutyl)cyclohexyl]ethyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 162552386
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide?
The IUPAC name of [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide (CID 154498491) is [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide.
What is the SMILES notation for [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide?
The canonical SMILES for [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide is [NH-]C1CCC(CCN2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide?
The InChIKey is VLPIMSMJYGZEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F6N3/c21-19(22,23)15-11-16(20(24,25)26)13-18(12-15)29-9-7-28(8-10-29)6-5-14-1-3-17(27)4-2-14/h11-14,17,27H,1-10H2/q-1.
What are the key properties of [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide?
[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide has a molecular weight of 422.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide is sourced from PubChem (CID 154498491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).