(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile

C14H21F3N2 — CID 143290988

IUPAC(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCC1CCN([C@@H]2CCC(C(F)(F)F)CC2C#N)CC1
InChIInChI=1S/C14H21F3N2/c1-10-4-6-19(7-5-10)13-3-2-12(14(15,16)17)8-11(13)9-18/h10-13H,2-8H2,1H3/t11?,12?,13-/m1/s1
InChIKeyKFVNWPNQGCBOLO-WXRRBKDZSA-N
MW274.33 g/mol
LogP3.59
Rot. Bonds1

About (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile

(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 143290988) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID143290988
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCC1CCN([C@@H]2CCC(C(F)(F)F)CC2C#N)CC1
InChIInChI=1S/C14H21F3N2/c1-10-4-6-19(7-5-10)13-3-2-12(14(15,16)17)8-11(13)9-18/h10-13H,2-8H2,1H3/t11?,12?,13-/m1/s1
InChIKeyKFVNWPNQGCBOLO-WXRRBKDZSA-N
XLogP3.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 143290988) is (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile is CC1CCN([C@@H]2CCC(C(F)(F)F)CC2C#N)CC1.
What is the InChIKey of (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is KFVNWPNQGCBOLO-WXRRBKDZSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10-4-6-19(7-5-10)13-3-2-12(14(15,16)17)8-11(13)9-18/h10-13H,2-8H2,1H3/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile?
(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 143290988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).