N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine

C15H24N2 — CID 118109233

IUPACN-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
SMILES[2H]C([2H])([2H])CN1CCC(NCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-2-17-12-9-15(10-13-17)16-11-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3/i1D3
InChIKeyYBFSGNLDNYSWSU-FIBGUPNXSA-N
MW235.39 g/mol
LogP2.30
Rot. Bonds6

About N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine

N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine (PubChem CID 118109233) has the molecular formula C15H24N2 and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
PubChem CID118109233
Molecular FormulaC15H24N2
Molecular Weight235.39 g/mol
Exact Mass235.21
IUPAC NameN-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
SMILES[2H]C([2H])([2H])CN1CCC(NCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-2-17-12-9-15(10-13-17)16-11-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3/i1D3
InChIKeyYBFSGNLDNYSWSU-FIBGUPNXSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109140
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine (CID 118109233) is N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine is [2H]C([2H])([2H])CN1CCC(NCCc2ccccc2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
The InChIKey is YBFSGNLDNYSWSU-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-17-12-9-15(10-13-17)16-11-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3/i1D3.
What are the key properties of N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine has a molecular weight of 235.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine is sourced from PubChem (CID 118109233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).