CID 174952901

C13H24BNO2 — CID 174952901

IUPAC—
SMILES[B]C(CCCC)(CCC1CCCCN1)C(=O)O
InChIInChI=1S/C13H24BNO2/c1-2-3-8-13(14,12(16)17)9-7-11-6-4-5-10-15-11/h11,15H,2-10H2,1H3,(H,16,17)
InChIKeyZAAKLZGJYMPWJU-UHFFFAOYSA-N
MW237.15 g/mol
LogP2.51
Rot. Bonds7

About CID 174952901

CID 174952901 (PubChem CID 174952901) has the molecular formula C13H24BNO2 and a molecular weight of 237.15 g/mol.

Molecular Properties

Compound NameCID 174952901
PubChem CID174952901
Molecular FormulaC13H24BNO2
Molecular Weight237.15 g/mol
Exact Mass237.19
IUPAC Name—
SMILES[B]C(CCCC)(CCC1CCCCN1)C(=O)O
InChIInChI=1S/C13H24BNO2/c1-2-3-8-13(14,12(16)17)9-7-11-6-4-5-10-15-11/h11,15H,2-10H2,1H3,(H,16,17)
InChIKeyZAAKLZGJYMPWJU-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174952901 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

2-tetradecylpiperidine
CID 151771246
2-heptadecylazepane
CID 4009189
2-pentylpiperidine;trifluoromethanesulfonic acid
CID 175583760
N-butyl-N-methyl-3-piperidin-2-ylpropanamide
CID 62210320
2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid
CID 19075764
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
(2S)-2-hexylpyrrolidine
CID 7047826
azane;2-propylpiperidine
CID 156844924
CID 88582722
CID 88582722
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid
CID 142749292
3-(azepan-2-yl)propanoic acid
CID 69475849

Frequently Asked Questions

What is the IUPAC name of CID 174952901?
The IUPAC name of CID 174952901 (CID 174952901) is not available.
What is the SMILES notation for CID 174952901?
The canonical SMILES for CID 174952901 is [B]C(CCCC)(CCC1CCCCN1)C(=O)O.
What is the InChIKey of CID 174952901?
The InChIKey is ZAAKLZGJYMPWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BNO2/c1-2-3-8-13(14,12(16)17)9-7-11-6-4-5-10-15-11/h11,15H,2-10H2,1H3,(H,16,17).
What are the key properties of CID 174952901?
CID 174952901 has a molecular weight of 237.15 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174952901 is sourced from PubChem (CID 174952901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).