(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine

C19H27F3N2O — CID 130335961

IUPAC(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine
SMILESNC1CCCN[C@H]1COC1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)16-5-2-1-4-15(16)13-7-9-14(10-8-13)25-12-18-17(23)6-3-11-24-18/h1-2,4-5,13-14,17-18,24H,3,6-12,23H2/t13?,14?,17?,18-/m0/s1
InChIKeyGQDGNMGYPPTPTM-RXWFTMJKSA-N
MW356.43 g/mol
LogP3.83
Rot. Bonds4

About (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine

(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine (PubChem CID 130335961) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine.

Molecular Properties

Compound Name(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine
PubChem CID130335961
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine
SMILESNC1CCCN[C@H]1COC1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)16-5-2-1-4-15(16)13-7-9-14(10-8-13)25-12-18-17(23)6-3-11-24-18/h1-2,4-5,13-14,17-18,24H,3,6-12,23H2/t13?,14?,17?,18-/m0/s1
InChIKeyGQDGNMGYPPTPTM-RXWFTMJKSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine?
The IUPAC name of (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine (CID 130335961) is (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine.
What is the SMILES notation for (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine?
The canonical SMILES for (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine is NC1CCCN[C@H]1COC1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine?
The InChIKey is GQDGNMGYPPTPTM-RXWFTMJKSA-N. The full InChI is InChI=1S/C19H27F3N2O/c20-19(21,22)16-5-2-1-4-15(16)13-7-9-14(10-8-13)25-12-18-17(23)6-3-11-24-18/h1-2,4-5,13-14,17-18,24H,3,6-12,23H2/t13?,14?,17?,18-/m0/s1.
What are the key properties of (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine?
(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine has a molecular weight of 356.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine is sourced from PubChem (CID 130335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).