[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol

C19H24N2O — CID 59152791

IUPAC[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol
SMILES[2H]c1c([2H])c([2H])c(NC2(C([2H])([2H])O)C([2H])([2H])C([2H])([2H])N(Cc3ccccc3)C([2H])([2H])C2([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2/i2D,5D,6D,9D,10D,11D2,12D2,13D2,14D2,16D2
InChIKeyWTOYUGZUPNQZHG-PBYSQWLWSA-N
MW311.51 g/mol
LogP3.13
Rot. Bonds5

About [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol

[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol (PubChem CID 59152791) has the molecular formula C19H24N2O and a molecular weight of 311.51 g/mol. Its IUPAC name is [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol.

Molecular Properties

Compound Name[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol
PubChem CID59152791
Molecular FormulaC19H24N2O
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol
SMILES[2H]c1c([2H])c([2H])c(NC2(C([2H])([2H])O)C([2H])([2H])C([2H])([2H])N(Cc3ccccc3)C([2H])([2H])C2([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2/i2D,5D,6D,9D,10D,11D2,12D2,13D2,14D2,16D2
InChIKeyWTOYUGZUPNQZHG-PBYSQWLWSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol with MolForge

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Launch Full Analysis

Related Compounds

(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
CID 44604890
1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine
CID 59152780
methyl 1-benzyl-4-(2,3,4,5,6-pentadeuterioanilino)piperidine-4-carboxylate
CID 171395102
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)piperidin-4-amine;N-(1-benzyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-yl)-2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)propanamide;2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate
CID 159676852
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
CID 135038184
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol?
The IUPAC name of [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol (CID 59152791) is [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol.
What is the SMILES notation for [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol?
The canonical SMILES for [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol is [2H]c1c([2H])c([2H])c(NC2(C([2H])([2H])O)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-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol?
The InChIKey is WTOYUGZUPNQZHG-PBYSQWLWSA-N. The full InChI is InChI=1S/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2/i2D,5D,6D,9D,10D,11D2,12D2,13D2,14D2,16D2.
What are the key properties of [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol?
[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol has a molecular weight of 311.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol is sourced from PubChem (CID 59152791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).