(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine

C18H25F3N2O — CID 69319100

IUPAC(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESFC(F)(F)c1ccccc1CN(CC1CCOC1)[C@H]1CCCNC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-6-2-1-4-15(17)12-23(11-14-7-9-24-13-14)16-5-3-8-22-10-16/h1-2,4,6,14,16,22H,3,5,7-13H2/t14?,16-/m0/s1
InChIKeyKGUIDQVPNMUAKC-WMCAAGNKSA-N
MW342.40 g/mol
LogP3.30
Rot. Bonds5

About (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine

(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (PubChem CID 69319100) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
PubChem CID69319100
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESFC(F)(F)c1ccccc1CN(CC1CCOC1)[C@H]1CCCNC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-6-2-1-4-15(17)12-23(11-14-7-9-24-13-14)16-5-3-8-22-10-16/h1-2,4,6,14,16,22H,3,5,7-13H2/t14?,16-/m0/s1
InChIKeyKGUIDQVPNMUAKC-WMCAAGNKSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (CID 69319100) is (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is FC(F)(F)c1ccccc1CN(CC1CCOC1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The InChIKey is KGUIDQVPNMUAKC-WMCAAGNKSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)17-6-2-1-4-15(17)12-23(11-14-7-9-24-13-14)16-5-3-8-22-10-16/h1-2,4,6,14,16,22H,3,5,7-13H2/t14?,16-/m0/s1.
What are the key properties of (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine has a molecular weight of 342.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 69319100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).