2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol

C19H28F3N3O — CID 56915142

IUPAC2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(c2cc(C(F)(F)F)ccn2)CCN1CC1CCCCC1
InChIInChI=1S/C19H28F3N3O/c20-19(21,22)16-6-8-23-18(12-16)25-10-9-24(17(14-25)7-11-26)13-15-4-2-1-3-5-15/h6,8,12,15,17,26H,1-5,7,9-11,13-14H2
InChIKeyUPYXNVHJKWKWRJ-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol (PubChem CID 56915142) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol
PubChem CID56915142
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(c2cc(C(F)(F)F)ccn2)CCN1CC1CCCCC1
InChIInChI=1S/C19H28F3N3O/c20-19(21,22)16-6-8-23-18(12-16)25-10-9-24(17(14-25)7-11-26)13-15-4-2-1-3-5-15/h6,8,12,15,17,26H,1-5,7,9-11,13-14H2
InChIKeyUPYXNVHJKWKWRJ-UHFFFAOYSA-N
XLogP3.55
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol (CID 56915142) is 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol is OCCC1CN(c2cc(C(F)(F)F)ccn2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol?
The InChIKey is UPYXNVHJKWKWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c20-19(21,22)16-6-8-23-18(12-16)25-10-9-24(17(14-25)7-11-26)13-15-4-2-1-3-5-15/h6,8,12,15,17,26H,1-5,7,9-11,13-14H2.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol has a molecular weight of 371.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 56915142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).