1-(1-tritylpiperidin-4-yl)propan-2-one

C27H29NO — CID 20685215

IUPAC1-(1-tritylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29NO/c1-22(29)21-23-17-19-28(20-18-23)27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23H,17-21H2,1H3
InChIKeyHQVIXUKXXXXVLR-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.67
Rot. Bonds6

About 1-(1-tritylpiperidin-4-yl)propan-2-one

1-(1-tritylpiperidin-4-yl)propan-2-one (PubChem CID 20685215) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(1-tritylpiperidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-tritylpiperidin-4-yl)propan-2-one
PubChem CID20685215
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name1-(1-tritylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29NO/c1-22(29)21-23-17-19-28(20-18-23)27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23H,17-21H2,1H3
InChIKeyHQVIXUKXXXXVLR-UHFFFAOYSA-N
XLogP5.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1-tritylpiperidin-4-yl)methanamine
CID 18668757
N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide
CID 21196039
2-(1-tritylpiperidin-4-yl)acetonitrile
CID 15480814
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
ethyl 4-tritylpiperazine-1-carboxylate
CID 147686070
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(1-tritylpiperidin-4-yl)ethanone
CID 21196217
3,4-dimethyl-1-tritylpiperidine
CID 118534551
1-tritylazetidine-3-carboxylic acid
CID 53445406
[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol
CID 21195952
ethyl 2-(4-tritylpiperazin-1-yl)acetate
CID 10158732

Frequently Asked Questions

What is the IUPAC name of 1-(1-tritylpiperidin-4-yl)propan-2-one?
The IUPAC name of 1-(1-tritylpiperidin-4-yl)propan-2-one (CID 20685215) is 1-(1-tritylpiperidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-tritylpiperidin-4-yl)propan-2-one?
The canonical SMILES for 1-(1-tritylpiperidin-4-yl)propan-2-one is CC(=O)CC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(1-tritylpiperidin-4-yl)propan-2-one?
The InChIKey is HQVIXUKXXXXVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-22(29)21-23-17-19-28(20-18-23)27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23H,17-21H2,1H3.
What are the key properties of 1-(1-tritylpiperidin-4-yl)propan-2-one?
1-(1-tritylpiperidin-4-yl)propan-2-one has a molecular weight of 383.54 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tritylpiperidin-4-yl)propan-2-one is sourced from PubChem (CID 20685215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).