N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline

C16H23F3N2 — CID 79704419

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(C)N(CC1CCNCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-12(2)21(11-13-7-9-20-10-8-13)15-6-4-3-5-14(15)16(17,18)19/h3-6,12-13,20H,7-11H2,1-2H3
InChIKeyJKDWMPJRJAHETR-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.92
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline

N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline (PubChem CID 79704419) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline
PubChem CID79704419
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(C)N(CC1CCNCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-12(2)21(11-13-7-9-20-10-8-13)15-6-4-3-5-14(15)16(17,18)19/h3-6,12-13,20H,7-11H2,1-2H3
InChIKeyJKDWMPJRJAHETR-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline (CID 79704419) is N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline is CC(C)N(CC1CCNCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline?
The InChIKey is JKDWMPJRJAHETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(2)21(11-13-7-9-20-10-8-13)15-6-4-3-5-14(15)16(17,18)19/h3-6,12-13,20H,7-11H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline?
N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 300.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 79704419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).