1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine

C20H23F3N2 — CID 11325506

IUPAC1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H23F3N2/c1-25-12-10-19(11-13-25)24-14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(21,22)23/h2-9,19,24H,10-14H2,1H3
InChIKeyCXCBFQUDYSDSKU-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.56
Rot. Bonds4

About 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine

1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine (PubChem CID 11325506) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
PubChem CID11325506
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H23F3N2/c1-25-12-10-19(11-13-25)24-14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(21,22)23/h2-9,19,24H,10-14H2,1H3
InChIKeyCXCBFQUDYSDSKU-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine (CID 11325506) is 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine is CN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
The InChIKey is CXCBFQUDYSDSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2/c1-25-12-10-19(11-13-25)24-14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(21,22)23/h2-9,19,24H,10-14H2,1H3.
What are the key properties of 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 11325506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).