CID 58171508

C11H14BN — CID 58171508

IUPAC—
SMILES[B]C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H14BN/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUTQRXTBAMRRDJK-UHFFFAOYSA-N
MW171.05 g/mol
LogP1.85
Rot. Bonds2

About CID 58171508

CID 58171508 (PubChem CID 58171508) has the molecular formula C11H14BN and a molecular weight of 171.05 g/mol.

Molecular Properties

Compound NameCID 58171508
PubChem CID58171508
Molecular FormulaC11H14BN
Molecular Weight171.05 g/mol
Exact Mass171.12
IUPAC Name—
SMILES[B]C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H14BN/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUTQRXTBAMRRDJK-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.05
LogP ≤ 51.85
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

1-benzyl-3-propylpyrrolidine
CID 12648211
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
1-benzyl-3-(iodomethyl)piperidine-4-thiol
CID 130863108
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166

Frequently Asked Questions

What is the IUPAC name of CID 58171508?
The IUPAC name of CID 58171508 (CID 58171508) is not available.
What is the SMILES notation for CID 58171508?
The canonical SMILES for CID 58171508 is [B]C1CCN(Cc2ccccc2)C1.
What is the InChIKey of CID 58171508?
The InChIKey is UTQRXTBAMRRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of CID 58171508?
CID 58171508 has a molecular weight of 171.05 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58171508 is sourced from PubChem (CID 58171508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).