1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C18H27F3N2 — CID 83982354

IUPAC1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCc1ccc(CN2CCCCC2CC(C)NCC(F)(F)F)cc1
InChIInChI=1S/C18H27F3N2/c1-14-6-8-16(9-7-14)12-23-10-4-3-5-17(23)11-15(2)22-13-18(19,20)21/h6-9,15,17,22H,3-5,10-13H2,1-2H3
InChIKeyZLZXQULKFHSYOY-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.28
Rot. Bonds6

About 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine

1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 83982354) has the molecular formula C18H27F3N2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID83982354
Molecular FormulaC18H27F3N2
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCc1ccc(CN2CCCCC2CC(C)NCC(F)(F)F)cc1
InChIInChI=1S/C18H27F3N2/c1-14-6-8-16(9-7-14)12-23-10-4-3-5-17(23)11-15(2)22-13-18(19,20)21/h6-9,15,17,22H,3-5,10-13H2,1-2H3
InChIKeyZLZXQULKFHSYOY-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83982162
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
CID 83982346
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 83982331
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 63762657
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249108

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 83982354) is 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine is Cc1ccc(CN2CCCCC2CC(C)NCC(F)(F)F)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is ZLZXQULKFHSYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2/c1-14-6-8-16(9-7-14)12-23-10-4-3-5-17(23)11-15(2)22-13-18(19,20)21/h6-9,15,17,22H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 328.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 83982354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).