[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol

C13H23F3N2O — CID 79641042

IUPAC[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-3-6-18(7-4-10)11-2-1-5-12(17,8-11)9-19/h10-11,19H,1-9,17H2
InChIKeyXTNIOOQGQBXWKK-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds2

About [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol

[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol (PubChem CID 79641042) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
PubChem CID79641042
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-3-6-18(7-4-10)11-2-1-5-12(17,8-11)9-19/h10-11,19H,1-9,17H2
InChIKeyXTNIOOQGQBXWKK-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol
CID 79634375
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523
methyl 1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylate
CID 79633959
[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
CID 113419340
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol (CID 79641042) is [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol is NC1(CO)CCCC(N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol?
The InChIKey is XTNIOOQGQBXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-3-6-18(7-4-10)11-2-1-5-12(17,8-11)9-19/h10-11,19H,1-9,17H2.
What are the key properties of [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol?
[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol has a molecular weight of 280.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 79641042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).