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

C22H30N2 — CID 118109140

IUPACN-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
SMILES[2H]C([2H])([2H])CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2/c1-2-23-16-14-22(15-17-23)24(19-21-11-7-4-8-12-21)18-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3/i1D3
InChIKeyQAHFRCDCOPIEGQ-FIBGUPNXSA-N
MW325.51 g/mol
LogP4.22
Rot. Bonds8

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

N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine (PubChem CID 118109140) has the molecular formula C22H30N2 and a molecular weight of 325.51 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
PubChem CID118109140
Molecular FormulaC22H30N2
Molecular Weight325.51 g/mol
Exact Mass325.26
IUPAC NameN-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
SMILES[2H]C([2H])([2H])CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2/c1-2-23-16-14-22(15-17-23)24(19-21-11-7-4-8-12-21)18-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3/i1D3
InChIKeyQAHFRCDCOPIEGQ-FIBGUPNXSA-N
XLogP4.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
N-benzyl-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 18389509
N-benzyl-N-(2-phenylethyl)piperidin-4-amine;hydroxy(phenyl)sulfanium
CID 144852641
N-benzyl-1-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)piperidin-4-amine;oxalic acid
CID 2913331
1-methyl-N-(2-phenylethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-amine
CID 46998495
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
N,N-dibenzylcyclobutanamine
CID 70822586
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
CID 53351142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine (CID 118109140) is N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine is [2H]C([2H])([2H])CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
The InChIKey is QAHFRCDCOPIEGQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C22H30N2/c1-2-23-16-14-22(15-17-23)24(19-21-11-7-4-8-12-21)18-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3/i1D3.
What are the key properties of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine?
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine has a molecular weight of 325.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine is sourced from PubChem (CID 118109140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).