N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C16H23F3N2 — CID 43769154

IUPACN-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(CNC1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C16H23F3N2/c1-13(14-5-3-2-4-6-14)11-20-15-7-9-21(10-8-15)12-16(17,18)19/h2-6,13,15,20H,7-12H2,1H3
InChIKeyQDCBNUIFURJWSN-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.41
Rot. Bonds5

About N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43769154) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43769154
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(CNC1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C16H23F3N2/c1-13(14-5-3-2-4-6-14)11-20-15-7-9-21(10-8-15)12-16(17,18)19/h2-6,13,15,20H,7-12H2,1H3
InChIKeyQDCBNUIFURJWSN-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43769154) is N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(CNC1CCN(CC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is QDCBNUIFURJWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-13(14-5-3-2-4-6-14)11-20-15-7-9-21(10-8-15)12-16(17,18)19/h2-6,13,15,20H,7-12H2,1H3.
What are the key properties of N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43769154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).