(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol

C19H24N2O — CID 44604890

IUPAC(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
SMILES[2H]C([2H])(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
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/i16D2
InChIKeyWTOYUGZUPNQZHG-BPPAMHLBSA-N
MW298.43 g/mol
LogP3.13
Rot. Bonds5

About (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol

(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol (PubChem CID 44604890) has the molecular formula C19H24N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol.

Molecular Properties

Compound Name(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
PubChem CID44604890
Molecular FormulaC19H24N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
SMILES[2H]C([2H])(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
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/i16D2
InChIKeyWTOYUGZUPNQZHG-BPPAMHLBSA-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 ≤ 500298.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
[1-benzyl-2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuterioanilino)piperidin-4-yl]-dideuteriomethanol
CID 59152791
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
CID 827171
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid
CID 73074090
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537

Frequently Asked Questions

What is the IUPAC name of (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol?
The IUPAC name of (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol (CID 44604890) is (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol.
What is the SMILES notation for (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol?
The canonical SMILES for (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol is [2H]C([2H])(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol?
The InChIKey is WTOYUGZUPNQZHG-BPPAMHLBSA-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/i16D2.
What are the key properties of (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol?
(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol has a molecular weight of 298.43 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 (4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol is sourced from PubChem (CID 44604890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).