CID 137252116

C21H28BNOP — CID 137252116

IUPAC—
SMILES[B-][P+](ON1C(C)(C)CCCC1(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28BNOP/c1-20(2)16-11-17-21(3,4)23(20)24-25(22,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,11,16-17H2,1-4H3
InChIKeyFZZGWKPNFZOTJU-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.63
Rot. Bonds4

About CID 137252116

CID 137252116 (PubChem CID 137252116) has the molecular formula C21H28BNOP and a molecular weight of 352.25 g/mol.

Molecular Properties

Compound NameCID 137252116
PubChem CID137252116
Molecular FormulaC21H28BNOP
Molecular Weight352.25 g/mol
Exact Mass352.20
IUPAC Name—
SMILES[B-][P+](ON1C(C)(C)CCCC1(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28BNOP/c1-20(2)16-11-17-21(3,4)23(20)24-25(22,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,11,16-17H2,1-4H3
InChIKeyFZZGWKPNFZOTJU-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 137252116 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

CID 162411162
CID 162411162
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
2-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino]ethanol
CID 143114964
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
sodium;hydride;2,2,6,6-tetramethyl-1-phenylpiperidine
CID 175329536
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
chloro-dimethyl-[9-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]nonyl]silane
CID 100969512
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methanol
CID 142744550

Frequently Asked Questions

What is the IUPAC name of CID 137252116?
The IUPAC name of CID 137252116 (CID 137252116) is not available.
What is the SMILES notation for CID 137252116?
The canonical SMILES for CID 137252116 is [B-][P+](ON1C(C)(C)CCCC1(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 137252116?
The InChIKey is FZZGWKPNFZOTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BNOP/c1-20(2)16-11-17-21(3,4)23(20)24-25(22,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,11,16-17H2,1-4H3.
What are the key properties of CID 137252116?
CID 137252116 has a molecular weight of 352.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137252116 is sourced from PubChem (CID 137252116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).