ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol

C14H22F3N3O — CID 145380210

IUPACethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESCC.CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O.C2H6/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15;1-2/h6-9,19H,2-5H2,1H3;1-2H3
InChIKeyXQLIAACXYDJHAE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.12
Rot. Bonds2

About ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol

ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 145380210) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Nameethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID145380210
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Nameethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESCC.CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O.C2H6/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15;1-2/h6-9,19H,2-5H2,1H3;1-2H3
InChIKeyXQLIAACXYDJHAE-UHFFFAOYSA-N
XLogP3.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72877463
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CID 39830890
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CID 72866545
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CID 72866844
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CID 121516400
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CID 57708368
CID 57708368

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 145380210) is ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is CC.CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is XQLIAACXYDJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O.C2H6/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15;1-2/h6-9,19H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 305.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 145380210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).