1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine

C18H22N2 — CID 59152780

IUPAC1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine
SMILES[2H]c1c([2H])c([2H])c(NC2([2H])C([2H])([2H])C([2H])([2H])N(Cc3ccccc3)C([2H])([2H])C2([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/i2D,5D,6D,9D,10D,11D2,12D2,13D2,14D2,18D
InChIKeyFSXGJIFBTBJMHV-SZSWHXAWSA-N
MW280.47 g/mol
LogP3.76
Rot. Bonds4

About 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine

1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine (PubChem CID 59152780) has the molecular formula C18H22N2 and a molecular weight of 280.47 g/mol. Its IUPAC name is 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine
PubChem CID59152780
Molecular FormulaC18H22N2
Molecular Weight280.47 g/mol
Exact Mass280.27
IUPAC Name1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine
SMILES[2H]c1c([2H])c([2H])c(NC2([2H])C([2H])([2H])C([2H])([2H])N(Cc3ccccc3)C([2H])([2H])C2([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/i2D,5D,6D,9D,10D,11D2,12D2,13D2,14D2,18D
InChIKeyFSXGJIFBTBJMHV-SZSWHXAWSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol
CID 59152791
methyl 1-benzyl-4-(2,3,4,5,6-pentadeuterioanilino)piperidine-4-carboxylate
CID 171395102
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
CID 59394921
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
1,4-dibenzyl-2,3,3,5,5,6,6-heptadeuteriopiperazine-2-carboxylic acid
CID 175963063
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-1,3-diazetidine
CID 67702530

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine (CID 59152780) is 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine is [2H]c1c([2H])c([2H])c(NC2([2H])C([2H])([2H])C([2H])([2H])N(Cc3ccccc3)C([2H])([2H])C2([2H])[2H])c([2H])c1[2H].
What is the InChIKey of 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine?
The InChIKey is FSXGJIFBTBJMHV-SZSWHXAWSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/i2D,5D,6D,9D,10D,11D2,12D2,13D2,14D2,18D.
What are the key properties of 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine?
1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine has a molecular weight of 280.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine is sourced from PubChem (CID 59152780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).