CID 174527919

C14H25BNO2 — CID 174527919

IUPAC—
SMILESCCCCC1CCCN1[B]c1ccccc1.O.O
InChIInChI=1S/C14H21BN.2H2O/c1-2-3-10-14-11-7-12-16(14)15-13-8-5-4-6-9-13;;/h4-6,8-9,14H,2-3,7,10-12H2,1H3;2*1H2
InChIKeyRPEDLGJKCYADLX-UHFFFAOYSA-N
MW250.17 g/mol
LogP0.94
Rot. Bonds5

About CID 174527919

CID 174527919 (PubChem CID 174527919) has the molecular formula C14H25BNO2 and a molecular weight of 250.17 g/mol.

Molecular Properties

Compound NameCID 174527919
PubChem CID174527919
Molecular FormulaC14H25BNO2
Molecular Weight250.17 g/mol
Exact Mass250.20
IUPAC Name—
SMILESCCCCC1CCCN1[B]c1ccccc1.O.O
InChIInChI=1S/C14H21BN.2H2O/c1-2-3-10-14-11-7-12-16(14)15-13-8-5-4-6-9-13;;/h4-6,8-9,14H,2-3,7,10-12H2,1H3;2*1H2
InChIKeyRPEDLGJKCYADLX-UHFFFAOYSA-N
XLogP0.94
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102569971
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CID 101030218
1-(2-fluorophenyl)-2-propylpyrrolidine
CID 67817363
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
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Frequently Asked Questions

What is the IUPAC name of CID 174527919?
The IUPAC name of CID 174527919 (CID 174527919) is not available.
What is the SMILES notation for CID 174527919?
The canonical SMILES for CID 174527919 is CCCCC1CCCN1[B]c1ccccc1.O.O.
What is the InChIKey of CID 174527919?
The InChIKey is RPEDLGJKCYADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BN.2H2O/c1-2-3-10-14-11-7-12-16(14)15-13-8-5-4-6-9-13;;/h4-6,8-9,14H,2-3,7,10-12H2,1H3;2*1H2.
What are the key properties of CID 174527919?
CID 174527919 has a molecular weight of 250.17 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174527919 is sourced from PubChem (CID 174527919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).