CID 155935653

C17H20BNOP+ — CID 155935653

IUPAC—
SMILES[B][P+](c1ccccc1)(c1ccccc1)N1CCC[C@@H]1CO
InChIInChI=1S/C17H20BNOP/c18-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-13-7-8-15(19)14-20/h1-6,9-12,15,20H,7-8,13-14H2/q+1/t15-/m1/s1
InChIKeySAVXKOJHBVUVAM-OAHLLOKOSA-N
MW296.14 g/mol
LogP2.11
Rot. Bonds4

About CID 155935653

CID 155935653 (PubChem CID 155935653) has the molecular formula C17H20BNOP+ and a molecular weight of 296.14 g/mol.

Molecular Properties

Compound NameCID 155935653
PubChem CID155935653
Molecular FormulaC17H20BNOP+
Molecular Weight296.14 g/mol
Exact Mass296.14
IUPAC Name—
SMILES[B][P+](c1ccccc1)(c1ccccc1)N1CCC[C@@H]1CO
InChIInChI=1S/C17H20BNOP/c18-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-13-7-8-15(19)14-20/h1-6,9-12,15,20H,7-8,13-14H2/q+1/t15-/m1/s1
InChIKeySAVXKOJHBVUVAM-OAHLLOKOSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
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(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
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[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
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1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
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Frequently Asked Questions

What is the IUPAC name of CID 155935653?
The IUPAC name of CID 155935653 (CID 155935653) is not available.
What is the SMILES notation for CID 155935653?
The canonical SMILES for CID 155935653 is [B][P+](c1ccccc1)(c1ccccc1)N1CCC[C@@H]1CO.
What is the InChIKey of CID 155935653?
The InChIKey is SAVXKOJHBVUVAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20BNOP/c18-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-13-7-8-15(19)14-20/h1-6,9-12,15,20H,7-8,13-14H2/q+1/t15-/m1/s1.
What are the key properties of CID 155935653?
CID 155935653 has a molecular weight of 296.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155935653 is sourced from PubChem (CID 155935653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).