CID 57307213

C24H32BN2O2 — CID 57307213

IUPAC—
SMILES[B](ON1CCC(Cc2ccccc2)CC1)ON1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H32BN2O2/c1-3-7-21(8-4-1)19-23-11-15-26(16-12-23)28-25-29-27-17-13-24(14-18-27)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2
InChIKeyHGZGULNJIAHQJC-UHFFFAOYSA-N
MW391.34 g/mol
LogP4.29
Rot. Bonds8

About CID 57307213

CID 57307213 (PubChem CID 57307213) has the molecular formula C24H32BN2O2 and a molecular weight of 391.34 g/mol.

Molecular Properties

Compound NameCID 57307213
PubChem CID57307213
Molecular FormulaC24H32BN2O2
Molecular Weight391.34 g/mol
Exact Mass391.26
IUPAC Name—
SMILES[B](ON1CCC(Cc2ccccc2)CC1)ON1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H32BN2O2/c1-3-7-21(8-4-1)19-23-11-15-26(16-12-23)28-25-29-27-17-13-24(14-18-27)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2
InChIKeyHGZGULNJIAHQJC-UHFFFAOYSA-N
XLogP4.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-1-methoxypiperidine
CID 146666995
(4-benzylpiperidin-1-yl) hydrogen carbonate
CID 90757299
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-methylazepane
CID 123177845
cyclopropylmethylbenzene;ethane;methane
CID 142248267
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol
CID 18621544
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633

Frequently Asked Questions

What is the IUPAC name of CID 57307213?
The IUPAC name of CID 57307213 (CID 57307213) is not available.
What is the SMILES notation for CID 57307213?
The canonical SMILES for CID 57307213 is [B](ON1CCC(Cc2ccccc2)CC1)ON1CCC(Cc2ccccc2)CC1.
What is the InChIKey of CID 57307213?
The InChIKey is HGZGULNJIAHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BN2O2/c1-3-7-21(8-4-1)19-23-11-15-26(16-12-23)28-25-29-27-17-13-24(14-18-27)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2.
What are the key properties of CID 57307213?
CID 57307213 has a molecular weight of 391.34 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57307213 is sourced from PubChem (CID 57307213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).